smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(-c2ccccc2)c(N)c1C(=O)C(C)C ZINC000000001593 187244644 /nfs/dbraw/zinc/24/46/44/187244644.db2.gz UMSWVMUFXHQAPJ-UHFFFAOYSA-N 0 0 242.322 3.411 10 0 in-man BGAERN Cc1csc(Nc2nc3ccccc3[nH]2)n1 ZINC000000004640 342669427 /nfs/dbraw/zinc/66/94/27/342669427.db2.gz XVLVNBRVOHODDC-UHFFFAOYSA-N 0 0 230.296 3.071 10 0 BGAERN Oc1ccccc1CCOc1ccc(F)cc1 ZINC000000004809 183301827 /nfs/dbraw/zinc/30/18/27/183301827.db2.gz XLYJIHWARONOSE-UHFFFAOYSA-N 0 0 232.254 3.153 10 0 BGAERN Cc1ccc(C2(C(C)(C)C)OCCO2)cc1 ZINC000000005048 178511218 /nfs/dbraw/zinc/51/12/18/178511218.db2.gz KONLOUNOGLJAIE-UHFFFAOYSA-N 0 0 220.312 3.241 10 0 BGAERN c1cn(Cc2ccncc2)c2ccccc12 ZINC000000005331 398277192 /nfs/dbraw/zinc/27/71/92/398277192.db2.gz LUHJZDCSPPPIDT-UHFFFAOYSA-N 0 0 208.264 3.085 10 0 BGAERN Cc1cnc2c3c1ccnc3C(=O)c1ccccc1-2 ZINC000000005632 368473638 /nfs/dbraw/zinc/47/36/38/368473638.db2.gz LOSJLQPAEPFENA-UHFFFAOYSA-N 0 0 246.269 3.150 10 0 BGAERN O=C1c2ccccc2[C@@]2(c3ccccc3)CCCN12 ZINC000000005649 182847260 /nfs/dbraw/zinc/84/72/60/182847260.db2.gz XNYDFVOFZSYAQP-KRWDZBQOSA-N 0 0 249.313 3.180 10 0 BGAERN c1ccc(Oc2nncc3ccccc32)cc1 ZINC000000005795 342669755 /nfs/dbraw/zinc/66/97/55/342669755.db2.gz CSHSXUZQMJVDJY-UHFFFAOYSA-N 0 0 222.247 3.422 10 0 in-vitro BGAERN Cc1cccc2c1CCC[C@H]2c1c[nH]cn1 ZINC000000006656 179213311 /nfs/dbraw/zinc/21/33/11/179213311.db2.gz PBKUWTSPSPWXNE-CYBMUJFWSA-N 0 0 212.296 3.186 10 0 BGAERN CCc1ccc2scc(CCNC(C)=O)c2c1 ZINC000000006676 171852635 /nfs/dbraw/zinc/85/26/35/171852635.db2.gz PICRXJDULXLJCZ-UHFFFAOYSA-N 0 0 247.363 3.142 10 0 in-vitro BGAERN C[C@H](CO)c1cccc(C(=O)c2ccccc2)c1 ZINC000000006711 176713860 /nfs/dbraw/zinc/71/38/60/176713860.db2.gz PXNNNHNOHYNXHF-GFCCVEGCSA-N 0 0 240.302 3.013 10 0 BGAERN Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1 ZINC000000007301 180958252 /nfs/dbraw/zinc/95/82/52/180958252.db2.gz MAOSUPNJVJGJEU-UHFFFAOYSA-N 0 0 239.253 3.278 10 0 BGAERN COc1ccc2c(c1)ncn2-c1ccccc1 ZINC000000007489 175220262 /nfs/dbraw/zinc/22/02/62/175220262.db2.gz BMNCXCJXZKZJII-UHFFFAOYSA-N 0 0 224.263 3.034 10 0 in-vivo BGAERN C[C@H](C(=O)OC1CCCCC1)c1ccncc1 ZINC000000009590 342669707 /nfs/dbraw/zinc/66/97/07/342669707.db2.gz ZUSBLVRUYCSEGN-NSHDSACASA-N 0 0 233.311 3.061 10 0 BGAERN Oc1ccc(N[C@H]2CCc3ccccc3C2)cc1 ZINC000000009652 183277012 /nfs/dbraw/zinc/27/70/12/183277012.db2.gz PEYFLWVFFHEZSO-HNNXBMFYSA-N 0 0 239.318 3.362 10 0 BGAERN C[C@@H](c1noc2ccc(Cl)cc21)n1ccnc1 ZINC000000015778 176042072 /nfs/dbraw/zinc/04/20/72/176042072.db2.gz QMKRARTVXMQOBW-QMMMGPOBSA-N 0 0 247.685 3.287 10 0 in-man BGAERN c1ccc2sc(C3=CN4CCC3CC4)nc2c1 ZINC000000017172 188098704 /nfs/dbraw/zinc/09/87/04/188098704.db2.gz NBAPIQQREIVGBA-UHFFFAOYSA-N 0 0 242.347 3.363 10 0 BGAERN CC1=CC(=O)C[C@@H]2CCc3cc(Cl)ccc3N12 ZINC000000022624 368478348 /nfs/dbraw/zinc/47/83/48/368478348.db2.gz KUTVZPSVMLYETM-LBPRGKRZSA-N 0 0 247.725 3.338 10 0 BGAERN c1cc2c(cccc2-c2c[nH]cn2)s1 ZINC000000024131 183329328 /nfs/dbraw/zinc/32/93/28/183329328.db2.gz QRRRICPYXPJYEH-UHFFFAOYSA-N 0 0 200.266 3.291 10 0 in-vivo BGAERN Cc1sc(C)c2c1CCC=C2c1c[nH]cn1 ZINC000000024132 368478569 /nfs/dbraw/zinc/47/85/69/368478569.db2.gz RLKWQKZPCMICPS-UHFFFAOYSA-N 0 0 230.336 3.466 10 0 in-vitro BGAERN S=c1[nH]c2ccccc2n1Cc1ccccn1 ZINC000000024819 183313249 /nfs/dbraw/zinc/31/32/49/183313249.db2.gz IFTUTPPKTQBCIE-UHFFFAOYSA-N 0 0 241.319 3.142 10 0 BGAERN CCC(=O)c1sc(Nc2ccccc2)nc1N ZINC000000027061 168259693 /nfs/dbraw/zinc/25/96/93/168259693.db2.gz SZYPURHXPKGDPG-UHFFFAOYSA-N 0 0 247.323 3.062 10 0 BGAERN COc1ccc2c(ccc3c2CCCC3=O)c1 ZINC000000041887 368488243 /nfs/dbraw/zinc/48/82/43/368488243.db2.gz SNRLVRBZACMUHU-UHFFFAOYSA-N 0 0 226.275 3.367 10 0 BGAERN Cc1ccc(S(=O)(=O)c2ccccc2)c(C)c1 ZINC000000053417 178827340 /nfs/dbraw/zinc/82/73/40/178827340.db2.gz ZCVSDPUSEUOUHQ-UHFFFAOYSA-N 0 0 246.331 3.136 10 0 BGAERN CCOC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000056512 170282945 /nfs/dbraw/zinc/28/29/45/170282945.db2.gz QPTWKDNRYCGMJM-HTRCEHHLSA-N 0 0 237.126 3.141 10 0 BGAERN CCOC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C ZINC000000056513 170260206 /nfs/dbraw/zinc/26/02/06/170260206.db2.gz QPTWKDNRYCGMJM-SVRRBLITSA-N 0 0 237.126 3.141 10 0 BGAERN CCOC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000056514 170283024 /nfs/dbraw/zinc/28/30/24/170283024.db2.gz QPTWKDNRYCGMJM-POYBYMJQSA-N 0 0 237.126 3.141 10 0 BGAERN CCOC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C ZINC000000056515 170260299 /nfs/dbraw/zinc/26/02/99/170260299.db2.gz QPTWKDNRYCGMJM-XPUUQOCRSA-N 0 0 237.126 3.141 10 0 BGAERN Cc1csc(=Nc2c(C)cccc2C)n1C ZINC000000071680 179045002 /nfs/dbraw/zinc/04/50/02/179045002.db2.gz UCTMPRAPYAXHQO-UHFFFAOYSA-O 0 0 233.360 3.241 10 0 BGAERN Cc1csc(=Nc2ccc(Cl)cc2)n1C ZINC000000071682 342672740 /nfs/dbraw/zinc/67/27/40/342672740.db2.gz NTZZWUBXOUXQAY-UHFFFAOYSA-O 0 0 239.751 3.278 10 0 BGAERN Cc1csc(=Nc2ccc(C)cc2C)n1C ZINC000000073184 342672724 /nfs/dbraw/zinc/67/27/24/342672724.db2.gz YIGQOPSTDNTPLW-UHFFFAOYSA-O 0 0 233.360 3.241 10 0 BGAERN CCn1ccsc1=Nc1c(C)cccc1C ZINC000000073246 383821416 /nfs/dbraw/zinc/82/14/16/383821416.db2.gz OUOLGJPXMTUVJP-UHFFFAOYSA-O 0 0 233.360 3.416 10 0 BGAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccco1)C2 ZINC000000086364 168003851 /nfs/dbraw/zinc/00/38/51/168003851.db2.gz UGDSANXTSCLZRG-GMXABZIVSA-N 0 0 247.338 3.224 10 0 BGAERN O=C1c2ccccc2-c2[nH]c3ccccc3c21 ZINC000000088293 384282848 /nfs/dbraw/zinc/28/28/48/384282848.db2.gz NHOZLQCFHOVMLW-UHFFFAOYSA-N 0 0 219.243 3.379 10 0 BGAERN O=c1cc(CSc2ccc(Cl)cc2)[nH][nH]1 ZINC000000091708 183256549 /nfs/dbraw/zinc/25/65/49/183256549.db2.gz KNBMOSHSMIPGFM-UHFFFAOYSA-N 0 0 240.715 3.061 10 0 BGAERN C/C(=C/c1ccc(Br)s1)[N+](=O)[O-] ZINC000000097923 188098801 /nfs/dbraw/zinc/09/88/01/188098801.db2.gz UHUDRXOZKDYQCP-PLNGDYQASA-N 0 0 248.101 3.148 10 0 BGAERN Cc1cc(NC2N=NC(=S)S2)ccc1F ZINC000000098997 178193306 /nfs/dbraw/zinc/19/33/06/178193306.db2.gz LHUPCNZYKNKPGQ-UHFFFAOYSA-N 0 0 241.316 3.018 10 0 BGAERN Cc1ccc(-c2cc([C@@H](C)O)on2)cc1C ZINC000000131275 178321291 /nfs/dbraw/zinc/32/12/91/178321291.db2.gz LLRMYYDIXXLISZ-SNVBAGLBSA-N 0 0 217.268 3.012 10 0 BGAERN Cc1ccc(-c2cc([C@H](C)O)on2)cc1C ZINC000000131278 178321101 /nfs/dbraw/zinc/32/11/01/178321101.db2.gz LLRMYYDIXXLISZ-JTQLQIEISA-N 0 0 217.268 3.012 10 0 BGAERN Nc1nccc(-c2cc(Cl)sc2Cl)n1 ZINC000000141295 344565240 /nfs/dbraw/zinc/56/52/40/344565240.db2.gz PAPYICJQRHSQGK-UHFFFAOYSA-N 0 0 246.122 3.094 10 0 in-vivo BGAERN O=C(Oc1cccnc1Cl)c1cccs1 ZINC000000153090 342677375 /nfs/dbraw/zinc/67/73/75/342677375.db2.gz IXMUCEMQJLTPRR-UHFFFAOYSA-N 0 0 239.683 3.016 10 0 BGAERN Cc1ccc2nc3c(nc2c1C)CCCC3 ZINC000000153579 344569913 /nfs/dbraw/zinc/56/99/13/344569913.db2.gz YWZJYIYCHZLIKR-UHFFFAOYSA-N 0 0 212.296 3.125 10 0 BGAERN Cc1ccc(O)c(C(=O)Cc2ccccc2)c1 ZINC000000158052 342678120 /nfs/dbraw/zinc/67/81/20/342678120.db2.gz LKOPRDNSXNVRPS-UHFFFAOYSA-N 0 0 226.275 3.126 10 0 BGAERN Clc1nc2ccccc2nc1NCC1CC1 ZINC000000161759 344581149 /nfs/dbraw/zinc/58/11/49/344581149.db2.gz ZABZWMHQROARPT-UHFFFAOYSA-N 0 0 233.702 3.105 10 0 BGAERN Cc1csc(=Nc2cccc(Cl)c2)n1C ZINC000000162735 179790185 /nfs/dbraw/zinc/79/01/85/179790185.db2.gz VXEKELNWQWLZAB-UHFFFAOYSA-O 0 0 239.751 3.278 10 0 BGAERN O=C(Nc1ccc(Cl)cc1)C(F)(F)Cl ZINC000000162783 182353111 /nfs/dbraw/zinc/35/31/11/182353111.db2.gz ZTJWLHPPHIMQNM-UHFFFAOYSA-N 0 0 240.036 3.110 10 0 BGAERN CCn1c(C(C)(C)C)csc1=NCC1CC1 ZINC000000164169 187244640 /nfs/dbraw/zinc/24/46/40/187244640.db2.gz MCHHLIUGJINDCD-UHFFFAOYSA-O 0 0 239.408 3.175 10 0 BGAERN Clc1ccc(CSCc2ncon2)cc1 ZINC000000165036 180580747 /nfs/dbraw/zinc/58/07/47/180580747.db2.gz ASQOARFCGFFDPR-UHFFFAOYSA-N 0 0 240.715 3.156 10 0 BGAERN FC(F)(F)Oc1ccccc1Cn1cccc1 ZINC000000165255 383839357 /nfs/dbraw/zinc/83/93/57/383839357.db2.gz CTBSBUIAZBMHRP-UHFFFAOYSA-N 0 0 241.212 3.435 10 0 BGAERN Cc1ccccc1Nc1cccccc1=O ZINC000000179226 344600791 /nfs/dbraw/zinc/60/07/91/344600791.db2.gz PURYTKOSBKIWTB-UHFFFAOYSA-N 0 0 211.264 3.099 10 0 BGAERN c1n[nH]c2cc(NCc3ccccc3)ccc12 ZINC000000182047 383884692 /nfs/dbraw/zinc/88/46/92/383884692.db2.gz MNUHAIGMHROBLZ-UHFFFAOYSA-N 0 0 223.279 3.175 10 0 BGAERN N=C1c2ccccc2CN1c1ccc(F)cc1F ZINC000000188318 181207288 /nfs/dbraw/zinc/20/72/88/181207288.db2.gz OYVIHDLHVWMWLZ-UHFFFAOYSA-N 0 0 244.244 3.310 10 0 BGAERN Cc1nc2nc(C)n(-c3ccccc3)c2s1 ZINC000000199139 180114488 /nfs/dbraw/zinc/11/44/88/180114488.db2.gz SADYWVQCQWGINB-UHFFFAOYSA-N 0 0 229.308 3.099 10 0 BGAERN Cc1cc([C@@H](C)CO)cc(C(C)(C)C)c1O ZINC000000210455 178220814 /nfs/dbraw/zinc/22/08/14/178220814.db2.gz WWZCCTVQQTXPCN-JTQLQIEISA-N 0 0 222.328 3.094 10 0 BGAERN Cc1cc([C@H](C)CO)cc(C(C)(C)C)c1O ZINC000000210457 178244580 /nfs/dbraw/zinc/24/45/80/178244580.db2.gz WWZCCTVQQTXPCN-SNVBAGLBSA-N 0 0 222.328 3.094 10 0 BGAERN Cc1n[nH]c(C)c1CCOc1cc(C)ccc1C ZINC000000210553 383913940 /nfs/dbraw/zinc/91/39/40/383913940.db2.gz UEHLMILRRCUNOM-UHFFFAOYSA-N 0 0 244.338 3.265 10 0 BGAERN O=C1Nc2ccccc2O/C1=C/c1ccccc1 ZINC000000216849 398277740 /nfs/dbraw/zinc/27/77/40/398277740.db2.gz LIZJZQCYTCJLHF-GXDHUFHOSA-N 0 0 237.258 3.059 10 0 BGAERN CCN(CC)c1nc(C)nc2sc(C)cc21 ZINC000000224201 169806177 /nfs/dbraw/zinc/80/61/77/169806177.db2.gz PMDPSXFSHNPODZ-UHFFFAOYSA-N 0 0 235.356 3.154 10 0 BGAERN COc1ccc(-c2cn3c(n2)CCCCC3)cc1 ZINC000000245699 175035586 /nfs/dbraw/zinc/03/55/86/175035586.db2.gz HQYGCPGALQCOLC-UHFFFAOYSA-N 0 0 242.322 3.285 10 0 BGAERN Cc1nn(-c2ccccc2)c2sccc12 ZINC000000246359 180331005 /nfs/dbraw/zinc/33/10/05/180331005.db2.gz SYEOQTDIMFRJQI-UHFFFAOYSA-N 0 0 214.293 3.395 10 0 BGAERN COc1cc2sc(C)nc2cc1SC ZINC000000254527 175029438 /nfs/dbraw/zinc/02/94/38/175029438.db2.gz XZINMWLOKGILJC-UHFFFAOYSA-N 0 0 225.338 3.335 10 0 BGAERN Oc1ccc2oc(-c3ccccc3)nc2c1 ZINC000000262667 183285816 /nfs/dbraw/zinc/28/58/16/183285816.db2.gz WPSCQFMIKNCXTH-UHFFFAOYSA-N 0 0 211.220 3.200 10 0 BGAERN OCCc1cn(-c2ccccc2)c2ccccc12 ZINC000000264440 183100719 /nfs/dbraw/zinc/10/07/19/183100719.db2.gz QIXLBIMMOWGESQ-UHFFFAOYSA-N 0 0 237.302 3.165 10 0 BGAERN CC1=CCOC[C@H]1c1cccc(Cl)c1O ZINC000000266981 168118193 /nfs/dbraw/zinc/11/81/93/168118193.db2.gz WQFQHQUWYFWOOZ-SNVBAGLBSA-N 0 0 224.687 3.106 10 0 BGAERN CC1=CCOC[C@@H]1c1cccc(Cl)c1O ZINC000000266984 168117211 /nfs/dbraw/zinc/11/72/11/168117211.db2.gz WQFQHQUWYFWOOZ-JTQLQIEISA-N 0 0 224.687 3.106 10 0 BGAERN Cc1nn(C(C)(C)C)c(N)c1-c1ccccc1 ZINC000000269406 180331885 /nfs/dbraw/zinc/33/18/85/180331885.db2.gz DOXLNMCPYVRQBU-UHFFFAOYSA-N 0 0 229.327 3.196 10 0 BGAERN Cc1cccc(OC(=O)OCC(C)C)c1 ZINC000000276825 179161545 /nfs/dbraw/zinc/16/15/45/179161545.db2.gz RJUNRPBCLYEJKH-UHFFFAOYSA-N 0 0 208.257 3.166 10 0 BGAERN CCOc1cc(Cl)nc2ccccc21 ZINC000000331318 342683671 /nfs/dbraw/zinc/68/36/71/342683671.db2.gz ZEEUHLMFYVCBOE-UHFFFAOYSA-N 0 0 207.660 3.287 10 0 in-vitro BGAERN O=C1c2ccccc2COc2ccc(Cl)cc21 ZINC000000332574 368538185 /nfs/dbraw/zinc/53/81/85/368538185.db2.gz KIEQOHOJVVIDNO-UHFFFAOYSA-N 0 0 244.677 3.463 10 0 BGAERN Cc1ccc(CO)c(OCc2ccccc2)c1 ZINC000000333791 178643013 /nfs/dbraw/zinc/64/30/13/178643013.db2.gz XLVSJLGHYLSYCF-UHFFFAOYSA-N 0 0 228.291 3.066 10 0 BGAERN CCC(=O)c1cc(Br)cs1 ZINC000000334200 168254811 /nfs/dbraw/zinc/25/48/11/168254811.db2.gz YTAOZIHQEPBPQQ-UHFFFAOYSA-N 0 0 219.103 3.103 10 0 BGAERN CN(C)c1nnc(-c2ccccc2)c2ccccc21 ZINC000000334621 368538647 /nfs/dbraw/zinc/53/86/47/368538647.db2.gz XKHQXDZLXJMKAI-UHFFFAOYSA-N 0 0 249.317 3.363 10 0 BGAERN Clc1cc2c(nn1)Sc1ccccc1N2 ZINC000000335740 180576735 /nfs/dbraw/zinc/57/67/35/180576735.db2.gz YLMPLEXXFPCGNB-UHFFFAOYSA-N 0 0 235.699 3.338 10 0 BGAERN CC(=O)c1c(Cl)n(C)c2ccccc21 ZINC000000336654 166434598 /nfs/dbraw/zinc/43/45/98/166434598.db2.gz LLZZEZGLIGDVLB-UHFFFAOYSA-N 0 0 207.660 3.034 10 0 BGAERN O=c1c(Br)csc2ccccc21 ZINC000000336696 342683880 /nfs/dbraw/zinc/68/38/80/342683880.db2.gz HNGUKFYOSVSQJM-UHFFFAOYSA-N 0 0 241.109 3.024 10 0 BGAERN Cc1nsc2c(Br)csc12 ZINC000000337186 344707794 /nfs/dbraw/zinc/70/77/94/344707794.db2.gz NGFHAVHXUDPGJY-UHFFFAOYSA-N 0 0 234.143 3.429 10 0 BGAERN Cc1ccc2nc(-c3ccc(C=O)cc3)cn2c1 ZINC000000337713 383856406 /nfs/dbraw/zinc/85/64/06/383856406.db2.gz RPJOPDMVXDGVQQ-UHFFFAOYSA-N 0 0 236.274 3.122 10 0 BGAERN Cc1nsc2ccc(Br)cc12 ZINC000000338943 180524073 /nfs/dbraw/zinc/52/40/73/180524073.db2.gz FBFJWKGJYZIEJK-UHFFFAOYSA-N 0 0 228.114 3.367 10 0 BGAERN O=C(CSCc1ccco1)c1ccccc1 ZINC000000341509 182008978 /nfs/dbraw/zinc/00/89/78/182008978.db2.gz LBNSNLRLNOVQCG-UHFFFAOYSA-N 0 0 232.304 3.396 10 0 BGAERN CCc1cc(C(=O)c2ccccc2)c(N)s1 ZINC000000347458 368539755 /nfs/dbraw/zinc/53/97/55/368539755.db2.gz KYEZNJNZIIRRKG-UHFFFAOYSA-N 0 0 231.320 3.124 10 0 BGAERN CC(C)(C)C(=O)n1ccc2ccccc21 ZINC000000367323 166538471 /nfs/dbraw/zinc/53/84/71/166538471.db2.gz DTRSVKLNWUNCQE-UHFFFAOYSA-N 0 0 201.269 3.328 10 0 BGAERN Clc1nnc(-c2ccc(Cl)cc2)o1 ZINC000000384345 344739603 /nfs/dbraw/zinc/73/96/03/344739603.db2.gz ZSPTWYFBSHTTGE-UHFFFAOYSA-N 0 0 215.039 3.043 10 0 BGAERN CCOC(=O)Nc1ccc2ccccc2c1 ZINC000000393425 170243850 /nfs/dbraw/zinc/24/38/50/170243850.db2.gz ZSPLIQCHGCWFCS-UHFFFAOYSA-N 0 0 215.252 3.408 10 0 BGAERN Cc1cc(O)c(Br)cc1Cl ZINC000000397579 345255051 /nfs/dbraw/zinc/25/50/51/345255051.db2.gz GRQPDQPXSXQGBX-UHFFFAOYSA-N 0 0 221.481 3.117 10 0 BGAERN Cc1ccc(S[C@H]2CCCC2=O)cc1 ZINC000000399849 345255467 /nfs/dbraw/zinc/25/54/67/345255467.db2.gz AZUWSZNBGQQINR-LBPRGKRZSA-N 0 0 206.310 3.209 10 0 BGAERN Cc1ccc(S[C@@H]2CCCC2=O)cc1 ZINC000000399850 345255092 /nfs/dbraw/zinc/25/50/92/345255092.db2.gz AZUWSZNBGQQINR-GFCCVEGCSA-N 0 0 206.310 3.209 10 0 BGAERN CCC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 ZINC000000407330 168252250 /nfs/dbraw/zinc/25/22/50/168252250.db2.gz OAZFQRFILJUHBV-MRVPVSSYSA-N 0 0 234.324 3.023 10 0 BGAERN CCC(=O)[C@H](C)Sc1nc2ccccc2[nH]1 ZINC000000407331 168253739 /nfs/dbraw/zinc/25/37/39/168253739.db2.gz OAZFQRFILJUHBV-QMMMGPOBSA-N 0 0 234.324 3.023 10 0 BGAERN CCc1cc(C(=O)c2ccccc2C)c(N)s1 ZINC000000414589 349993731 /nfs/dbraw/zinc/99/37/31/349993731.db2.gz WBWMYETVGGQOJH-UHFFFAOYSA-N 0 0 245.347 3.432 10 0 BGAERN CC(=O)Nc1ccc(OC/C=C(/C)Cl)cc1 ZINC000000432964 323075029 /nfs/dbraw/zinc/07/50/29/323075029.db2.gz OTJODFUJEDRSII-CLFYSBASSA-N 0 0 239.702 3.166 10 0 BGAERN C/C(=C/c1ccccc1)C(=O)Nc1nccs1 ZINC000000465567 384733403 /nfs/dbraw/zinc/73/34/03/384733403.db2.gz NMSJVSMDGGLYBX-KTKRTIGZSA-N 0 0 244.319 3.185 10 0 BGAERN CC(=O)c1ccc(-c2ccccc2)nc1C ZINC000000480006 383871714 /nfs/dbraw/zinc/87/17/14/383871714.db2.gz ZSLMAABFZHCMJO-UHFFFAOYSA-N 0 0 211.264 3.260 10 0 BGAERN Nc1cccnc1Sc1cccc(Cl)c1 ZINC000000480513 181759250 /nfs/dbraw/zinc/75/92/50/181759250.db2.gz KOIPKZDLBZKPCI-UHFFFAOYSA-N 0 0 236.727 3.468 10 0 BGAERN Cc1ccccc1Sc1ncccc1N ZINC000000481399 179316287 /nfs/dbraw/zinc/31/62/87/179316287.db2.gz ZSGNJEIEZJDFIP-UHFFFAOYSA-N 0 0 216.309 3.123 10 0 BGAERN CC(C)(C)NC(=O)/C(Cl)=C/c1ccccc1 ZINC000000492154 166611460 /nfs/dbraw/zinc/61/14/60/166611460.db2.gz KLIAVJDRWAHCDB-LUAWRHEFSA-N 0 0 237.730 3.181 10 0 BGAERN Cc1cc(C)n(C(=S)Nc2cccc(C)c2)n1 ZINC000000493388 342688883 /nfs/dbraw/zinc/68/88/83/342688883.db2.gz MKJUFSSRYLRLPV-UHFFFAOYSA-N 0 0 245.351 3.053 10 0 BGAERN Cc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000000505454 179237261 /nfs/dbraw/zinc/23/72/61/179237261.db2.gz LUPHUKWXQVNVCX-UHFFFAOYSA-N 0 0 235.290 3.447 10 0 BGAERN Cc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000000505463 178331487 /nfs/dbraw/zinc/33/14/87/178331487.db2.gz OGSBRDJAMKKTRH-UHFFFAOYSA-N 0 0 235.290 3.447 10 0 BGAERN Fc1ccccc1Nc1nc2ccccc2[nH]1 ZINC000000513169 181014067 /nfs/dbraw/zinc/01/40/67/181014067.db2.gz OJRMUPYSGWAPCE-UHFFFAOYSA-N 0 0 227.242 3.446 10 0 BGAERN Clc1ccc2c(c1)nc1ccccn12 ZINC000000520187 360637792 /nfs/dbraw/zinc/63/77/92/360637792.db2.gz NWMIPVKRLZRRSQ-UHFFFAOYSA-N 0 0 202.644 3.141 10 0 BGAERN C(c1ccco1)=C1Oc2ccccc2O1 ZINC000000542461 188273440 /nfs/dbraw/zinc/27/34/40/188273440.db2.gz NLDKBRDOVZMZHN-UHFFFAOYSA-N 0 0 200.193 3.049 10 0 BGAERN Cc1ccc(/C=C2\c3ccccc3NC2=O)cc1 ZINC000000574904 178355809 /nfs/dbraw/zinc/35/58/09/178355809.db2.gz JEZSEMYAZZHQIB-GXDHUFHOSA-N 0 0 235.286 3.488 10 0 BGAERN Fc1ccc(NCc2ccncc2)cc1Cl ZINC000000575650 180978366 /nfs/dbraw/zinc/97/83/66/180978366.db2.gz UYJIPQUCMSQPPV-UHFFFAOYSA-N 0 0 236.677 3.486 10 0 BGAERN Cc1cccc2cc(C3OCCO3)c(Cl)nc12 ZINC000000784781 179227205 /nfs/dbraw/zinc/22/72/05/179227205.db2.gz NVKKSXBLSZKSJL-UHFFFAOYSA-N 0 0 249.697 3.242 10 0 BGAERN Cc1ccc(-c2ncc3ccccn32)cc1 ZINC000000809925 178338554 /nfs/dbraw/zinc/33/85/54/178338554.db2.gz FAOPGSXFQMCYRM-UHFFFAOYSA-N 0 0 208.264 3.310 10 0 BGAERN CC1(C)CCC[C@]2(C)[C@H]3C(=O)OCC3=CC[C@@H]12 ZINC000000898498 560179208 /nfs/dbraw/zinc/17/92/08/560179208.db2.gz BQNSBENKJCLJGN-ZOWXZIJZSA-N 0 0 234.339 3.322 10 0 in-vitro BGAERN Oc1ccc([C@H]2CCc3ccc(O)cc3O2)cc1 ZINC000000898785 183278287 /nfs/dbraw/zinc/27/82/87/183278287.db2.gz YXMLGIGHGPSEKA-CQSZACIVSA-N 0 0 242.274 3.164 10 0 biogenic,in-vivo BGAERN Oc1ccc2c(c1)O[C@@H](c1ccccc1)CC2 ZINC000000899372 368596823 /nfs/dbraw/zinc/59/68/23/368596823.db2.gz KFUMHIDDQQILEL-CQSZACIVSA-N 0 0 226.275 3.459 10 0 BGAERN COc1cc(-c2ccccc2)cc(OC)c1O ZINC000000899550 560179451 /nfs/dbraw/zinc/17/94/51/560179451.db2.gz KCKBEANTNJGRCV-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 biogenic,in-vitro BGAERN Oc1ccc(-c2cnc(-c3cccnc3)o2)cc1 ZINC000000900036 183263886 /nfs/dbraw/zinc/26/38/86/183263886.db2.gz FUXBKWOAAPDDGE-UHFFFAOYSA-N 0 0 238.246 3.109 10 0 in-vitro BGAERN CCN(C(C)=O)c1nc(-c2ccccc2)cs1 ZINC000000917078 342694809 /nfs/dbraw/zinc/69/48/09/342694809.db2.gz CPXAXPZNMDZUTM-UHFFFAOYSA-N 0 0 246.335 3.183 10 0 BGAERN Cc1nc2c(s1)CCc1sccc1-2 ZINC000000985428 350969255 /nfs/dbraw/zinc/96/92/55/350969255.db2.gz PCDDWGQZMIPKAA-UHFFFAOYSA-N 0 0 207.323 3.279 10 0 BGAERN Cc1ccc(-c2cc(=O)c3c(o2)CCCC3)cc1 ZINC000001017629 178318024 /nfs/dbraw/zinc/31/80/24/178318024.db2.gz DUNWYBLVTAOQIQ-UHFFFAOYSA-N 0 0 240.302 3.494 10 0 BGAERN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)C1CCC1 ZINC000001042170 167995288 /nfs/dbraw/zinc/99/52/88/167995288.db2.gz YBHUPGZTPJLXBK-KYOSRNDESA-N 0 0 235.371 3.118 10 0 BGAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccco1)C2 ZINC000001044055 168010529 /nfs/dbraw/zinc/01/05/29/168010529.db2.gz UGDSANXTSCLZRG-JVLSTEMRSA-N 0 0 247.338 3.224 10 0 BGAERN Cc1cnc(-c2cc(C)c(C)cn2)cc1C ZINC000001081527 356618432 /nfs/dbraw/zinc/61/84/32/356618432.db2.gz PPCNVVQFRWNXBR-UHFFFAOYSA-N 0 0 212.296 3.377 10 0 BGAERN OCc1ccccc1-c1ccc(Cl)cc1 ZINC000001257437 187384532 /nfs/dbraw/zinc/38/45/32/187384532.db2.gz AMPOWGGQSPQVIE-UHFFFAOYSA-N 0 0 218.683 3.499 10 0 BGAERN CNc1cccc(-c2ccc(C=O)cc2)c1 ZINC000001260699 584963295 /nfs/dbraw/zinc/96/32/95/584963295.db2.gz WLPWLMWEWXCJCO-UHFFFAOYSA-N 0 0 211.264 3.208 10 0 BGAERN C=Cc1cc(OC)c(OC)cc1Br ZINC000001435955 537835888 /nfs/dbraw/zinc/83/58/88/537835888.db2.gz MZQUBCLLIKZDFK-UHFFFAOYSA-N 0 0 243.100 3.109 10 0 BGAERN O=c1oc(C2CCCCC2)nc2ccccc21 ZINC000001460941 183012517 /nfs/dbraw/zinc/01/25/17/183012517.db2.gz MAKPFHFTCPNVEO-UHFFFAOYSA-N 0 0 229.279 3.236 10 0 BGAERN COc1ccc2c(C)c(C(C)=O)c(C)nc2c1 ZINC000001481715 175203555 /nfs/dbraw/zinc/20/35/55/175203555.db2.gz JKZQRPQTPLGSDW-UHFFFAOYSA-N 0 0 229.279 3.063 10 0 in-man BGAERN Cc1ccc(-c2cnc(NC3CC3)nc2)cc1 ZINC000001495284 178329350 /nfs/dbraw/zinc/32/93/50/178329350.db2.gz PUBPVXAPJUVLKK-UHFFFAOYSA-N 0 0 225.295 3.026 10 0 BGAERN O=C(/C=C/c1ccccc1)OCc1ccco1 ZINC000001501926 181840282 /nfs/dbraw/zinc/84/02/82/181840282.db2.gz NSJIKSRYLVHKPN-CMDGGOBGSA-N 0 0 228.247 3.036 10 0 BGAERN Cc1cccc2oc(-c3ccc(N)cc3)nc21 ZINC000001505060 179232800 /nfs/dbraw/zinc/23/28/00/179232800.db2.gz XIPPVEQKMKCPHQ-UHFFFAOYSA-N 0 0 224.263 3.385 10 0 BGAERN Cc1cccc2oc(-c3ccc(N)cc3O)nc21 ZINC000001505063 179233086 /nfs/dbraw/zinc/23/30/86/179233086.db2.gz CPCZAFQRASEZNT-UHFFFAOYSA-N 0 0 240.262 3.091 10 0 BGAERN O=c1cc(-c2ccoc2)oc2ccccc12 ZINC000001506285 342702090 /nfs/dbraw/zinc/70/20/90/342702090.db2.gz LGUHQIOUFDSZTE-UHFFFAOYSA-N 0 0 212.204 3.053 10 0 BGAERN Cc1nc2ccc3ncccc3c2s1 ZINC000001507398 180100354 /nfs/dbraw/zinc/10/03/54/180100354.db2.gz MXEZKFUOWFIDJP-UHFFFAOYSA-N 0 0 200.266 3.153 10 0 BGAERN COc1ccc(CCC(=O)c2ccco2)cc1 ZINC000001508019 175088828 /nfs/dbraw/zinc/08/88/28/175088828.db2.gz RFZCKHDQANPINQ-UHFFFAOYSA-N 0 0 230.263 3.104 10 0 BGAERN O=c1cc2cccc3c2c([nH]1)-c1ccccc1C3=O ZINC000001511259 182844621 /nfs/dbraw/zinc/84/46/21/182844621.db2.gz NHOYROCTVIDOJP-UHFFFAOYSA-N 0 0 247.253 3.152 10 0 BGAERN Fc1cccc2cc(-c3cccnc3)[nH]c21 ZINC000001517374 346448776 /nfs/dbraw/zinc/44/87/76/346448776.db2.gz CUKULDAWYBGGDG-UHFFFAOYSA-N 0 0 212.227 3.369 10 0 BGAERN COc1ccc2[nH]c(C(C)(C)C)cc2c1 ZINC000001518851 342702472 /nfs/dbraw/zinc/70/24/72/342702472.db2.gz KAPVGGRTOZBSHR-UHFFFAOYSA-N 0 0 203.285 3.474 10 0 BGAERN Fc1ccc(-n2cccc2)c(Br)c1 ZINC000001519661 356344626 /nfs/dbraw/zinc/34/46/26/356344626.db2.gz XPKKSELXAGBMIA-UHFFFAOYSA-N 0 0 240.075 3.379 10 0 BGAERN Fc1cc(Br)ccc1-n1cccc1 ZINC000001519687 368639623 /nfs/dbraw/zinc/63/96/23/368639623.db2.gz XUHGAWUBLYOAGL-UHFFFAOYSA-N 0 0 240.075 3.379 10 0 BGAERN Cc1ccc2nc(-n3cccc3)sc2c1 ZINC000001519928 342702541 /nfs/dbraw/zinc/70/25/41/342702541.db2.gz ZGEXJJHASOLYOB-UHFFFAOYSA-N 0 0 214.293 3.395 10 0 BGAERN c1ccn(-c2nc3ccccc3s2)c1 ZINC000001519943 183462472 /nfs/dbraw/zinc/46/24/72/183462472.db2.gz XXHJABOPNDFQDQ-UHFFFAOYSA-N 0 0 200.266 3.087 10 0 BGAERN Cc1cccc2sc(-n3cccc3)nc21 ZINC000001519960 179233976 /nfs/dbraw/zinc/23/39/76/179233976.db2.gz NXVJKKLBJQGJJY-UHFFFAOYSA-N 0 0 214.293 3.395 10 0 BGAERN COc1ccc(Cl)cc1-c1cscn1 ZINC000001520059 175119641 /nfs/dbraw/zinc/11/96/41/175119641.db2.gz MAKQCMNEWFDGPP-UHFFFAOYSA-N 0 0 225.700 3.472 10 0 BGAERN COc1ccc(-c2cscn2)cc1Cl ZINC000001520061 175037846 /nfs/dbraw/zinc/03/78/46/175037846.db2.gz MWDDPASLXYFFCF-UHFFFAOYSA-N 0 0 225.700 3.472 10 0 BGAERN COc1cc(C)c(-c2cscn2)cc1C ZINC000001520070 487571541 /nfs/dbraw/zinc/57/15/41/487571541.db2.gz DYTBRSXYENCYFJ-UHFFFAOYSA-N 0 0 219.309 3.436 10 0 BGAERN Cc1cc2ccc(C=O)nc2cc1Cl ZINC000001526716 178295805 /nfs/dbraw/zinc/29/58/05/178295805.db2.gz BRMAOALMHOVSIW-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cccc2c(Cl)cc(C=O)nc12 ZINC000001526785 179210378 /nfs/dbraw/zinc/21/03/78/179210378.db2.gz UFLWEFIBOPYXNG-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN O=Cc1cc(Cl)c2ccc(Cl)cc2n1 ZINC000001526806 182861631 /nfs/dbraw/zinc/86/16/31/182861631.db2.gz JYUCLSWSTKTEHN-UHFFFAOYSA-N 0 0 226.062 3.354 10 0 BGAERN O=Cc1ccnc2c(Cl)ccc(Cl)c12 ZINC000001526839 182873553 /nfs/dbraw/zinc/87/35/53/182873553.db2.gz JECCMQIJNKFDQF-UHFFFAOYSA-N 0 0 226.062 3.354 10 0 BGAERN Cc1cc(Cl)cc2c(C=O)ccnc12 ZINC000001526862 188245780 /nfs/dbraw/zinc/24/57/80/188245780.db2.gz ABMYUOORVXSVNL-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1ccc(Cl)c2c(C=O)ccnc12 ZINC000001526869 178659149 /nfs/dbraw/zinc/65/91/49/178659149.db2.gz XYELVUSHPVNSBO-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc2c(C=O)ccnc2cc1Cl ZINC000001526916 178278459 /nfs/dbraw/zinc/27/84/59/178278459.db2.gz FTMHCZFQTZFKHA-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cccc2c(C=O)cc(Cl)nc12 ZINC000001526985 179209799 /nfs/dbraw/zinc/20/97/99/179209799.db2.gz ZFZJCFKJNRWWDJ-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1ccc2c(C=O)cc(Cl)nc2c1 ZINC000001527015 178940010 /nfs/dbraw/zinc/94/00/10/178940010.db2.gz XBUUHZKCUXIJSE-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN CSc1ccc(-n2cccc2C=O)cc1 ZINC000001527079 356465738 /nfs/dbraw/zinc/46/57/38/356465738.db2.gz VJADWXFTCUTTBB-UHFFFAOYSA-N 0 0 217.293 3.012 10 0 BGAERN Cc1cccn2c(C=O)c(C3CCCC3)nc12 ZINC000001527444 584912597 /nfs/dbraw/zinc/91/25/97/584912597.db2.gz YYLRJJMMMWNVIV-UHFFFAOYSA-N 0 0 228.295 3.113 10 0 BGAERN Cc1ccn2c(C=O)c(C3CCCC3)nc2c1 ZINC000001527684 584912458 /nfs/dbraw/zinc/91/24/58/584912458.db2.gz OHXGJJYNFSHZJN-UHFFFAOYSA-N 0 0 228.295 3.113 10 0 BGAERN Cc1ccc2nc(C3CCCC3)c(C=O)n2c1 ZINC000001527926 587689976 /nfs/dbraw/zinc/68/99/76/587689976.db2.gz SFQYGRAYDLKUMO-UHFFFAOYSA-N 0 0 228.295 3.113 10 0 BGAERN CC(C)CNC(=O)/C=C/C=C/Cc1ccccc1 ZINC000001532063 560181560 /nfs/dbraw/zinc/18/15/60/560181560.db2.gz APSXSFZATMGGAT-HCFISPQYSA-N 0 0 243.350 3.114 10 0 in-vitro BGAERN CCOP(=O)(OCC)Oc1ccccc1 ZINC000001532338 388586025 /nfs/dbraw/zinc/58/60/25/388586025.db2.gz DHTQKXHLXVUBCF-UHFFFAOYSA-N 0 0 230.200 3.247 10 0 in-vitro BGAERN O=C1Cc2ccccc2[C@@H]2CCCC[C@H]12 ZINC000001557125 182788787 /nfs/dbraw/zinc/78/87/87/182788787.db2.gz RHJQPGUUNSNZJR-STQMWFEESA-N 0 0 200.281 3.086 10 0 BGAERN O=C1Cc2ccccc2[C@@H]2CCCC[C@@H]12 ZINC000001557127 182788352 /nfs/dbraw/zinc/78/83/52/182788352.db2.gz RHJQPGUUNSNZJR-QWHCGFSZSA-N 0 0 200.281 3.086 10 0 BGAERN CCOC(=O)N1C=CC2(C=C1)CCCCC2 ZINC000001557132 170239494 /nfs/dbraw/zinc/23/94/94/170239494.db2.gz PNVCFVDXNSYKJG-UHFFFAOYSA-N 0 0 221.300 3.436 10 0 BGAERN O=C(N/C=C/c1ccccc1)c1ccccc1 ZINC000001557435 182076886 /nfs/dbraw/zinc/07/68/86/182076886.db2.gz RNBKFNSCTAFHCN-VAWYXSNFSA-N 0 0 223.275 3.087 10 0 BGAERN Nc1ccc(-c2c(N)ncc3ccccc32)cc1 ZINC000001557664 368647103 /nfs/dbraw/zinc/64/71/03/368647103.db2.gz RHQIZEYRGRQHKC-UHFFFAOYSA-N 0 0 235.290 3.066 10 0 BGAERN C/C(C(=O)NC1CC1)=C(\C)c1ccc(Cl)cc1 ZINC000001567558 383904732 /nfs/dbraw/zinc/90/47/32/383904732.db2.gz SDHSWSFAQOTVMR-KTKRTIGZSA-N 0 0 249.741 3.412 10 0 BGAERN OCCCCc1ccc2ccccc2c1 ZINC000001577332 356973852 /nfs/dbraw/zinc/97/38/52/356973852.db2.gz HCFPOCQNXGQTIC-UHFFFAOYSA-N 0 0 200.281 3.155 10 0 BGAERN Cc1cc(Cl)nc2nc(Cl)ccc12 ZINC000001584581 178072484 /nfs/dbraw/zinc/07/24/84/178072484.db2.gz LYXLDVBELFAENV-UHFFFAOYSA-N 0 0 213.067 3.245 10 0 BGAERN FC(F)(F)c1c[nH]cc1C(F)(F)F ZINC000001585877 180890897 /nfs/dbraw/zinc/89/08/97/180890897.db2.gz MEXIJEVOUWNEMH-UHFFFAOYSA-N 0 0 203.085 3.052 10 0 BGAERN COC(=O)[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000001594508 342704828 /nfs/dbraw/zinc/70/48/28/342704828.db2.gz 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FXSZONWSPSHORK-UHFFFAOYSA-N 0 0 246.306 3.465 10 0 BGAERN Clc1ccc([C@@H]2NCCCS2)cc1 ZINC000001596468 356987639 /nfs/dbraw/zinc/98/76/39/356987639.db2.gz QTUGKOYWNCJYIX-SNVBAGLBSA-N 0 0 213.733 3.065 10 0 BGAERN OC1(CCc2ccccc2)CCCCC1 ZINC000001596577 183017580 /nfs/dbraw/zinc/01/75/80/183017580.db2.gz AVZUHEPSGPBJFL-UHFFFAOYSA-N 0 0 204.313 3.314 10 0 BGAERN CC(C)C[C@@](C)(O)CC[C@](C)(O)CC(C)C ZINC000001596820 187301286 /nfs/dbraw/zinc/30/12/86/187301286.db2.gz BTRWELPXUDWAGW-KBPBESRZSA-N 0 0 230.392 3.361 10 0 BGAERN O[C@@H](c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000001597872 183185762 /nfs/dbraw/zinc/18/57/62/183185762.db2.gz HXQXONCRLXQTFV-CQSZACIVSA-N 0 0 234.295 3.029 10 0 BGAERN CCCOC(=O)c1ccc(OCCC)cc1 ZINC000001598354 356987610 /nfs/dbraw/zinc/98/76/10/356987610.db2.gz RKEYLLYLYHXCST-UHFFFAOYSA-N 0 0 222.284 3.042 10 0 BGAERN COC(=O)c1cc(Cl)cc(Cl)c1C ZINC000001602043 387077091 /nfs/dbraw/zinc/07/70/91/387077091.db2.gz XMQNGHBAYVFPIK-UHFFFAOYSA-N 0 0 219.067 3.088 10 0 BGAERN CCCCC[C@H]1O[C@H](C)CC(C)(C)O1 ZINC000001602695 168746345 /nfs/dbraw/zinc/74/63/45/168746345.db2.gz PDQBOBGVXLUMTJ-MNOVXSKESA-N 0 0 200.322 3.497 10 0 BGAERN CCOC(=O)C[C@H](C)CCCC(C)C ZINC000001602905 368658171 /nfs/dbraw/zinc/65/81/71/368658171.db2.gz DGKFRSSCFLRUOO-LLVKDONJSA-N 0 0 200.322 3.402 10 0 BGAERN c1ccc(N2COc3ccccc3C2)cc1 ZINC000001607277 132308659 /nfs/dbraw/zinc/30/86/59/132308659.db2.gz FMZPVXIKKGVLLV-UHFFFAOYSA-N 0 0 211.264 3.043 10 0 BGAERN CC(C)(C)OOC(=O)c1ccc(Cl)cc1 ZINC000001612831 361709581 /nfs/dbraw/zinc/70/95/81/361709581.db2.gz FJBLUOQXFJPCSO-UHFFFAOYSA-N 0 0 228.675 3.227 10 0 BGAERN Cc1cc2c(ccc3c(C)cc(=O)oc23)o1 ZINC000001618932 178293451 /nfs/dbraw/zinc/29/34/51/178293451.db2.gz PFFGIQUVLUEURV-UHFFFAOYSA-N 0 0 214.220 3.156 10 0 in-vitro BGAERN C[C@H]1CC(C)(C)N=C(CC[C@H]2CCCC2=O)O1 ZINC000001619166 177064210 /nfs/dbraw/zinc/06/42/10/177064210.db2.gz JDQNJTCLFUOCRX-WDEREUQCSA-N 0 0 237.343 3.122 10 0 BGAERN C[C@@H]1CC(C)(C)N=C(CC[C@H]2CCCC2=O)O1 ZINC000001619167 176052761 /nfs/dbraw/zinc/05/27/61/176052761.db2.gz JDQNJTCLFUOCRX-GHMZBOCLSA-N 0 0 237.343 3.122 10 0 BGAERN C[C@H]1CC(C)(C)N=C(CC[C@@H]2CCCC2=O)O1 ZINC000001619168 177064190 /nfs/dbraw/zinc/06/41/90/177064190.db2.gz JDQNJTCLFUOCRX-QWRGUYRKSA-N 0 0 237.343 3.122 10 0 BGAERN C[C@@H]1CC(C)(C)N=C(CC[C@@H]2CCCC2=O)O1 ZINC000001619169 176052831 /nfs/dbraw/zinc/05/28/31/176052831.db2.gz JDQNJTCLFUOCRX-MNOVXSKESA-N 0 0 237.343 3.122 10 0 BGAERN O=Cc1cn(C(=O)c2ccccc2)c2ccccc12 ZINC000001619800 388587193 /nfs/dbraw/zinc/58/71/93/388587193.db2.gz QMNJJAQYGLNGGN-UHFFFAOYSA-N 0 0 249.269 3.142 10 0 BGAERN ON(Cc1ccccc1)C(=S)c1ccccc1 ZINC000001629968 183172051 /nfs/dbraw/zinc/17/20/51/183172051.db2.gz ODICBYUPKZRFOG-UHFFFAOYSA-N 0 0 243.331 3.254 10 0 BGAERN C[C@H]1CCC[C@](C)(c2ccccc2)C1=O ZINC000001632994 177143783 /nfs/dbraw/zinc/14/37/83/177143783.db2.gz DMSIAVVCORLKAU-SMDDNHRTSA-N 0 0 202.297 3.333 10 0 BGAERN C[C@@H]1CCC[C@](C)(c2ccccc2)C1=O ZINC000001632995 176151194 /nfs/dbraw/zinc/15/11/94/176151194.db2.gz DMSIAVVCORLKAU-BXUZGUMPSA-N 0 0 202.297 3.333 10 0 BGAERN C[C@H]1CCC[C@@](C)(c2ccccc2)C1=O ZINC000001632996 177127547 /nfs/dbraw/zinc/12/75/47/177127547.db2.gz DMSIAVVCORLKAU-FZMZJTMJSA-N 0 0 202.297 3.333 10 0 BGAERN C[C@@H]1CCC[C@@](C)(c2ccccc2)C1=O ZINC000001632997 176133663 /nfs/dbraw/zinc/13/36/63/176133663.db2.gz DMSIAVVCORLKAU-RISCZKNCSA-N 0 0 202.297 3.333 10 0 BGAERN CCCCCC[C@@H](C[C@@H](OC)OCC)OC ZINC000001633947 168676686 /nfs/dbraw/zinc/67/66/86/168676686.db2.gz JBLJTYZSYJSTNX-STQMWFEESA-N 0 0 232.364 3.371 10 0 BGAERN CCCCCC[C@H](C[C@@H](OC)OCC)OC ZINC000001633948 342706661 /nfs/dbraw/zinc/70/66/61/342706661.db2.gz JBLJTYZSYJSTNX-OLZOCXBDSA-N 0 0 232.364 3.371 10 0 BGAERN CCCCCC[C@@H](C[C@H](OC)OCC)OC ZINC000001633949 342706600 /nfs/dbraw/zinc/70/66/00/342706600.db2.gz JBLJTYZSYJSTNX-QWHCGFSZSA-N 0 0 232.364 3.371 10 0 BGAERN CCCCCC[C@H](C[C@H](OC)OCC)OC ZINC000001633950 342706577 /nfs/dbraw/zinc/70/65/77/342706577.db2.gz JBLJTYZSYJSTNX-CHWSQXEVSA-N 0 0 232.364 3.371 10 0 BGAERN O=C1Nc2cc3c(c4cccc1c24)CCCC3 ZINC000001639675 342706822 /nfs/dbraw/zinc/70/68/22/342706822.db2.gz SCHHYQDCCGWYBI-UHFFFAOYSA-N 0 0 223.275 3.284 10 0 BGAERN S=C1SC[C@@H](c2ccccc2)S1 ZINC000001644033 183314060 /nfs/dbraw/zinc/31/40/60/183314060.db2.gz UNAVLWYSWPISLX-QMMMGPOBSA-N 0 0 212.364 3.493 10 0 BGAERN Cc1cc2ncn([C@H]3CCCCO3)c2cc1C ZINC000001648720 178305655 /nfs/dbraw/zinc/30/56/55/178305655.db2.gz ASIWCDIGTQZVDE-CQSZACIVSA-N 0 0 230.311 3.352 10 0 BGAERN Cc1cc(OCc2c[nH]cn2)cc(C)c1Cl ZINC000001651821 178212904 /nfs/dbraw/zinc/21/29/04/178212904.db2.gz IQRPFEOJKBFMEM-UHFFFAOYSA-N 0 0 236.702 3.259 10 0 BGAERN CCCCOCCCCOCCCC ZINC000001656309 388586641 /nfs/dbraw/zinc/58/66/41/388586641.db2.gz RWRVHUGUGAVJTL-UHFFFAOYSA-N 0 0 202.338 3.400 10 0 BGAERN COc1ccc(Cc2nc3ccccc3o2)cc1 ZINC000001659637 175118314 /nfs/dbraw/zinc/11/83/14/175118314.db2.gz GWYNJXSRJPAUCL-UHFFFAOYSA-N 0 0 239.274 3.427 10 0 BGAERN CC(=O)c1cnc2oc3ccc(O)cc3c2c1C ZINC000001662930 388586746 /nfs/dbraw/zinc/58/67/46/388586746.db2.gz XHGOKHHMIQTVED-UHFFFAOYSA-N 0 0 241.246 3.198 10 0 BGAERN CCCC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001666963 168558205 /nfs/dbraw/zinc/55/82/05/168558205.db2.gz ZRXPNVBIQMTHFS-MISXGVKJSA-N 0 0 223.360 3.118 10 0 BGAERN CC(C)(C)C(=O)C[C@H](O)c1ccc(Cl)cc1 ZINC000001671606 166522442 /nfs/dbraw/zinc/52/24/42/166522442.db2.gz KEMOKABOBGZZID-NSHDSACASA-N 0 0 240.730 3.379 10 0 BGAERN CCC1CCC(NC(=O)c2ccccc2)CC1 ZINC000001674055 356953395 /nfs/dbraw/zinc/95/33/95/356953395.db2.gz XOJRIGJFFSQEIY-UHFFFAOYSA-N 0 0 231.339 3.385 10 0 BGAERN CC(C)NC(=O)/C=C/C=C/c1ccc(Cl)cc1 ZINC000001674498 342707985 /nfs/dbraw/zinc/70/79/85/342707985.db2.gz QUXXPFAZDHIZCJ-GGWOSOGESA-N 0 0 249.741 3.434 10 0 BGAERN O=C(c1ccc(Cl)cc1)C(F)(F)Cl ZINC000001675409 368679714 /nfs/dbraw/zinc/67/97/14/368679714.db2.gz ZMCFDDNVCUMJHA-UHFFFAOYSA-N 0 0 225.021 3.354 10 0 BGAERN O=C(Cc1ccc2ccccc2n1)c1ccco1 ZINC000001675484 182038312 /nfs/dbraw/zinc/03/83/12/182038312.db2.gz FILFNOZKBUWSKS-UHFFFAOYSA-N 0 0 237.258 3.253 10 0 BGAERN CCc1c2cc(N(C)C)ccc2n(C)c1C ZINC000001685344 368680964 /nfs/dbraw/zinc/68/09/64/368680964.db2.gz MVBMCSOTTKNKHD-UHFFFAOYSA-N 0 0 216.328 3.115 10 0 BGAERN CCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001685818 574411412 /nfs/dbraw/zinc/41/14/12/574411412.db2.gz FAFMZORPAAGQFV-OPQQBVKSSA-N 0 0 210.317 3.154 10 0 endogenous,in-man BGAERN CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001685984 342708944 /nfs/dbraw/zinc/70/89/44/342708944.db2.gz KRKIAJBQOUBNSE-COPLHBTASA-N 0 0 224.344 3.400 10 0 endogenous,in-man BGAERN CCC(CC)C(=O)c1ccc(OC)cc1 ZINC000001688089 357146810 /nfs/dbraw/zinc/14/68/10/357146810.db2.gz CUSGBLIMZVLLIE-UHFFFAOYSA-N 0 0 206.285 3.314 10 0 BGAERN CCc1c(C)[nH]c2ccc(N(C)C)cc21 ZINC000001689773 368681026 /nfs/dbraw/zinc/68/10/26/368681026.db2.gz IOYNGCZNYGEZRO-UHFFFAOYSA-N 0 0 202.301 3.105 10 0 BGAERN CCOC(CCc1ccccc1)OCC ZINC000001692300 350940639 /nfs/dbraw/zinc/94/06/39/350940639.db2.gz PUAHZQALAWRSNP-UHFFFAOYSA-N 0 0 208.301 3.018 10 0 BGAERN CCCc1nc(Cl)c(Cl)c(Cl)n1 ZINC000001694094 169591449 /nfs/dbraw/zinc/59/14/49/169591449.db2.gz JMVHNAXQPUGXQX-UHFFFAOYSA-N 0 0 225.506 3.389 10 0 BGAERN COc1ccc(C)cc1C(=O)c1ccccc1 ZINC000001694424 175073624 /nfs/dbraw/zinc/07/36/24/175073624.db2.gz ZSTOXXBHUBYMMY-UHFFFAOYSA-N 0 0 226.275 3.235 10 0 BGAERN CCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000001694848 350947510 /nfs/dbraw/zinc/94/75/10/350947510.db2.gz UJGLOWVVUOBEJU-UHFFFAOYSA-N 0 0 247.549 3.480 10 0 BGAERN Cc1ccnc(C(=S)Nc2ccccc2)c1 ZINC000001698615 383926121 /nfs/dbraw/zinc/92/61/21/383926121.db2.gz BVIUFIYSZXUEBW-UHFFFAOYSA-N 0 0 228.320 3.178 10 0 BGAERN Nc1ccc2c(c1)Cc1ccc(Cl)cc1-2 ZINC000001698811 368683999 /nfs/dbraw/zinc/68/39/99/368683999.db2.gz ATVKTGTZWHGQDA-UHFFFAOYSA-N 0 0 215.683 3.493 10 0 BGAERN [O-][n+]1cc(-c2ccccc2)cc2ccccc21 ZINC000001701454 187409603 /nfs/dbraw/zinc/40/96/03/187409603.db2.gz AMSNCSCROOHIEF-UHFFFAOYSA-N 0 0 221.259 3.140 10 0 BGAERN c1ccc2c(c1)[nH]c1c2CCN2CCCC[C@@H]12 ZINC000001703731 388586781 /nfs/dbraw/zinc/58/67/81/388586781.db2.gz OURDZMSSMGUMKR-AWEZNQCLSA-N 0 0 226.323 3.251 10 0 BGAERN Nc1ccccc1C(=O)C1CCCCC1 ZINC000001716469 342710806 /nfs/dbraw/zinc/71/08/06/342710806.db2.gz JXHXZEWREZILOO-UHFFFAOYSA-N 0 0 203.285 3.032 10 0 BGAERN O=C1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000001717803 383928279 /nfs/dbraw/zinc/92/82/79/383928279.db2.gz AKAKCEPCLVSYHK-AWEZNQCLSA-N 0 0 222.287 3.284 10 0 BGAERN COc1ccccc1[C@H]1CCCCC[C@H]1O ZINC000001727809 175354547 /nfs/dbraw/zinc/35/45/47/175354547.db2.gz VUSPLZQRMVRTTP-DGCLKSJQSA-N 0 0 220.312 3.104 10 0 BGAERN COc1ccccc1[C@@H]1CCCCC[C@H]1O ZINC000001727810 175348944 /nfs/dbraw/zinc/34/89/44/175348944.db2.gz VUSPLZQRMVRTTP-WCQYABFASA-N 0 0 220.312 3.104 10 0 BGAERN COc1ccccc1[C@H]1CCCCC[C@@H]1O ZINC000001727811 175354740 /nfs/dbraw/zinc/35/47/40/175354740.db2.gz VUSPLZQRMVRTTP-YPMHNXCESA-N 0 0 220.312 3.104 10 0 BGAERN COc1ccccc1[C@@H]1CCCCC[C@@H]1O ZINC000001727812 175348123 /nfs/dbraw/zinc/34/81/23/175348123.db2.gz VUSPLZQRMVRTTP-AAEUAGOBSA-N 0 0 220.312 3.104 10 0 BGAERN O=C1CCn2c3ccccc3c3cccc1c32 ZINC000001728913 182756726 /nfs/dbraw/zinc/75/67/26/182756726.db2.gz JVMKBXFZIDSFIN-UHFFFAOYSA-N 0 0 221.259 3.381 10 0 BGAERN COCCN(CCF)c1ccc2ccccc2c1 ZINC000001730420 368691289 /nfs/dbraw/zinc/69/12/89/368691289.db2.gz MKNLLUJCQUUBOI-UHFFFAOYSA-N 0 0 247.313 3.262 10 0 BGAERN CC(=O)OC1CCC(c2ccccc2)CC1 ZINC000001748023 383934231 /nfs/dbraw/zinc/93/42/31/383934231.db2.gz BPTLOURWNCPYTR-UHFFFAOYSA-N 0 0 218.296 3.276 10 0 BGAERN Nc1cccc(OCCCOc2ccccc2)c1 ZINC000001748563 181747513 /nfs/dbraw/zinc/74/75/13/181747513.db2.gz POGJLGREGJKIGS-UHFFFAOYSA-N 0 0 243.306 3.117 10 0 BGAERN Cc1cccc2c3c([nH]c21)CCSC3 ZINC000001754862 179225624 /nfs/dbraw/zinc/22/56/24/179225624.db2.gz LPDDAEMGWDNIGQ-UHFFFAOYSA-N 0 0 203.310 3.266 10 0 BGAERN O=C1CSCc2c3ccccc3ccc21 ZINC000001754869 182772111 /nfs/dbraw/zinc/77/21/11/182772111.db2.gz ONWDVODQWKSKIW-UHFFFAOYSA-N 0 0 214.289 3.269 10 0 BGAERN Cc1ccc2[nH]c3c(c2c1)CSCC3 ZINC000001754878 358431207 /nfs/dbraw/zinc/43/12/07/358431207.db2.gz XKUMFDBGSQRHHT-UHFFFAOYSA-N 0 0 203.310 3.266 10 0 BGAERN O=C1C(c2ccccc2)=NNC1c1ccccc1 ZINC000001762276 183253492 /nfs/dbraw/zinc/25/34/92/183253492.db2.gz AWAVVFCXLWOCMD-UHFFFAOYSA-N 0 0 236.274 3.449 10 0 BGAERN C[C@H]1C[P@](=O)(c2ccccc2)C1(C)C ZINC000001765056 177388214 /nfs/dbraw/zinc/38/82/14/177388214.db2.gz XMRNRYZTDXDPDU-HZMBPMFUSA-N 0 0 208.241 3.103 10 0 BGAERN C[C@H]1C[P@@](=O)(c2ccccc2)C1(C)C ZINC000001765060 177388296 /nfs/dbraw/zinc/38/82/96/177388296.db2.gz XMRNRYZTDXDPDU-IINYFYTJSA-N 0 0 208.241 3.103 10 0 BGAERN C[C@@H]1C[P@@](=O)(c2ccccc2)C1(C)C ZINC000001765062 176449383 /nfs/dbraw/zinc/44/93/83/176449383.db2.gz XMRNRYZTDXDPDU-QMTHXVAHSA-N 0 0 208.241 3.103 10 0 BGAERN CC1(C)COP(=O)(Oc2ccccc2)OC1 ZINC000001845587 167973967 /nfs/dbraw/zinc/97/39/67/167973967.db2.gz VSKVZTVOVPEFOH-UHFFFAOYSA-N 0 0 242.211 3.247 10 0 BGAERN CCN(CC)C(Cl)=C(Cl)Cl ZINC000001845826 169762642 /nfs/dbraw/zinc/76/26/42/169762642.db2.gz DVSJBCFGNHBBKG-UHFFFAOYSA-N 0 0 202.512 3.171 10 0 BGAERN CC(C)CCOC(=O)OCCC(C)C ZINC000001846708 135508470 /nfs/dbraw/zinc/50/84/70/135508470.db2.gz DWWPOAYNAWHBKI-UHFFFAOYSA-N 0 0 202.294 3.232 10 0 BGAERN CCCCO[C@@H](C)OCCc1ccccc1 ZINC000001849664 133443437 /nfs/dbraw/zinc/44/34/37/133443437.db2.gz JBEADRDKGADTFN-CYBMUJFWSA-N 0 0 222.328 3.408 10 0 endogenous,in-man BGAERN CCCCO[C@H](C)OCCc1ccccc1 ZINC000001849665 383938050 /nfs/dbraw/zinc/93/80/50/383938050.db2.gz JBEADRDKGADTFN-ZDUSSCGKSA-N 0 0 222.328 3.408 10 0 endogenous,in-man BGAERN Cc1coc2ccc3c(C)cc(=O)oc3c12 ZINC000001849762 368709276 /nfs/dbraw/zinc/70/92/76/368709276.db2.gz ZUOUYRRXKPHFSV-UHFFFAOYSA-N 0 0 214.220 3.156 10 0 in-vitro BGAERN CCC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1 ZINC000001850071 574411542 /nfs/dbraw/zinc/41/15/42/574411542.db2.gz CMKQOKAXUWQAHG-LLVKDONJSA-N 0 0 210.317 3.465 10 0 endogenous,in-man BGAERN CCC(=O)OC(C)(C)[C@H]1CC=C(C)CC1 ZINC000001850073 574411545 /nfs/dbraw/zinc/41/15/45/574411545.db2.gz CMKQOKAXUWQAHG-NSHDSACASA-N 0 0 210.317 3.465 10 0 endogenous,in-man BGAERN C[C@H](c1noc2ccc(Cl)cc21)n1ccnc1 ZINC000001851203 177056414 /nfs/dbraw/zinc/05/64/14/177056414.db2.gz QMKRARTVXMQOBW-MRVPVSSYSA-N 0 0 247.685 3.287 10 0 in-man BGAERN O=c1cc(-c2ccccc2)oc2c(O)cccc12 ZINC000001853908 342713121 /nfs/dbraw/zinc/71/31/21/342713121.db2.gz XNUMOPPRKAGFPF-UHFFFAOYSA-N 0 0 238.242 3.166 10 0 BGAERN CC(=O)COc1ccc2cc(C(C)=O)ccc2c1 ZINC000001855768 342713159 /nfs/dbraw/zinc/71/31/59/342713159.db2.gz KYZJPMUCJBTDBQ-UHFFFAOYSA-N 0 0 242.274 3.010 10 0 BGAERN Nc1cc(Cl)cc2cc(Cl)cnc12 ZINC000001856930 342713079 /nfs/dbraw/zinc/71/30/79/342713079.db2.gz ZNNGHKIUXFCTFO-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Oc1cc(Cl)cc2cc(Cl)cnc12 ZINC000001856931 183258536 /nfs/dbraw/zinc/25/85/36/183258536.db2.gz DJNGQNQUJOVZPN-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN S=c1[nH]c(Cc2ccccc2)cs1 ZINC000001868304 187245276 /nfs/dbraw/zinc/24/52/76/187245276.db2.gz ZXRKKKLCRQUOTF-UHFFFAOYSA-N 0 0 207.323 3.023 10 0 BGAERN COc1ccc2[nH]c(C)c(SC)c2c1 ZINC000001869894 187405454 /nfs/dbraw/zinc/40/54/54/187405454.db2.gz LPCDXYJEPDXBOK-UHFFFAOYSA-N 0 0 207.298 3.207 10 0 BGAERN CCC(=O)COc1cccc2ccccc21 ZINC000001995841 168210373 /nfs/dbraw/zinc/21/03/73/168210373.db2.gz QIWHGUWIXSKJKR-UHFFFAOYSA-N 0 0 214.264 3.198 10 0 BGAERN c1ccc2c(c1)-c1nccc3ccnc-2c13 ZINC000001996094 183440947 /nfs/dbraw/zinc/44/09/47/183440947.db2.gz KIVUUVOREYMMFE-UHFFFAOYSA-N 0 0 204.232 3.277 10 0 endogenous,in-man BGAERN C/C(C(=O)NC1CC1)=C(/C)c1ccc(Cl)cc1 ZINC000002001140 342714200 /nfs/dbraw/zinc/71/42/00/342714200.db2.gz SDHSWSFAQOTVMR-MDZDMXLPSA-N 0 0 249.741 3.412 10 0 BGAERN CCN(C(=O)OC(C)C)c1ccccc1 ZINC000002002257 342714213 /nfs/dbraw/zinc/71/42/13/342714213.db2.gz SQDMLDRMYYGDGT-UHFFFAOYSA-N 0 0 207.273 3.058 10 0 BGAERN CN1c2ccccc2Nc2ccccc2C1=O ZINC000002010730 368734542 /nfs/dbraw/zinc/73/45/42/368734542.db2.gz NLKSFKLPWZLDGG-UHFFFAOYSA-N 0 0 224.263 3.020 10 0 BGAERN COc1cccc(N(C(C)=O)c2ccccc2)c1 ZINC000002012199 175275646 /nfs/dbraw/zinc/27/56/46/175275646.db2.gz WKAIOPWAPFOJFL-UHFFFAOYSA-N 0 0 241.290 3.380 10 0 BGAERN CC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1N ZINC000002013758 342714448 /nfs/dbraw/zinc/71/44/48/342714448.db2.gz TXTMRLJHSIIYMB-UHFFFAOYSA-N 0 0 248.713 3.428 10 0 BGAERN COc1c(Cl)ccc(Cl)c1OC ZINC000002014168 359725779 /nfs/dbraw/zinc/72/57/79/359725779.db2.gz CBYMFVMZRAOHOY-UHFFFAOYSA-N 0 0 207.056 3.011 10 0 BGAERN COc1ccc(Cl)c(Cl)c1OC ZINC000002014170 368734794 /nfs/dbraw/zinc/73/47/94/368734794.db2.gz WEMHPBMPYVGSJI-UHFFFAOYSA-N 0 0 207.056 3.011 10 0 BGAERN COc1ccccc1C1SCCS1 ZINC000002014535 175320532 /nfs/dbraw/zinc/32/05/32/175320532.db2.gz JKPYCJKJEBIDIG-UHFFFAOYSA-N 0 0 212.339 3.174 10 0 BGAERN CCCOCCn1ccc2ccccc21 ZINC000002015370 169309735 /nfs/dbraw/zinc/30/97/35/169309735.db2.gz GKYJUFKQRPIUPN-UHFFFAOYSA-N 0 0 203.285 3.068 10 0 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/nfs/dbraw/zinc/96/71/72/176967172.db2.gz OATMQLUGSMOYRV-NSHDSACASA-N 0 0 206.329 3.298 10 0 BGAERN CCCc1cc(C(N)=O)cc(CCC)c1OCC ZINC000002020972 368737383 /nfs/dbraw/zinc/73/73/83/368737383.db2.gz UKTOQHCZCJDSOD-UHFFFAOYSA-N 0 0 249.354 3.089 10 0 BGAERN C[C@@](O)(c1ccc(Br)cc1)C1CC1 ZINC000002024298 342714687 /nfs/dbraw/zinc/71/46/87/342714687.db2.gz AKWHXCFLUPFEEX-NSHDSACASA-N 0 0 241.128 3.067 10 0 BGAERN CC(=O)c1c(C)cc(C)c(C(C)=O)c1C ZINC000002025163 353471002 /nfs/dbraw/zinc/47/10/02/353471002.db2.gz QQLGCXFBLZBKGG-UHFFFAOYSA-N 0 0 204.269 3.017 10 0 BGAERN O=C(Cc1ccccc1)[C@H]1Cc2ccccc21 ZINC000002029826 182044222 /nfs/dbraw/zinc/04/42/22/182044222.db2.gz MWRCQJJQFQLAJJ-HNNXBMFYSA-N 0 0 222.287 3.138 10 0 BGAERN O=C(Cc1ccccc1)[C@@H]1Cc2ccccc21 ZINC000002029827 182044383 /nfs/dbraw/zinc/04/43/83/182044383.db2.gz MWRCQJJQFQLAJJ-OAHLLOKOSA-N 0 0 222.287 3.138 10 0 BGAERN O=C(c1ccccc1)[C@H]1Cc2ccccc21 ZINC000002029829 368739974 /nfs/dbraw/zinc/73/99/74/368739974.db2.gz 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3.021 10 0 BGAERN Cc1ccc(N2CC[C@H](C)C2=O)cc1Cl ZINC000002035746 342714838 /nfs/dbraw/zinc/71/48/38/342714838.db2.gz IDCUDPFNBCHCDL-VIFPVBQESA-N 0 0 223.703 3.021 10 0 BGAERN O=C(Nc1cccc(O)c1)OCc1ccccc1 ZINC000002035762 360424711 /nfs/dbraw/zinc/42/47/11/360424711.db2.gz AJJKAELSCPYHKU-UHFFFAOYSA-N 0 0 243.262 3.141 10 0 BGAERN O[C@@H]1CCc2cc(OCc3ccccc3)ccc21 ZINC000002036334 360424794 /nfs/dbraw/zinc/42/47/94/360424794.db2.gz YWZOVDJXPCLYQD-MRXNPFEDSA-N 0 0 240.302 3.245 10 0 BGAERN Clc1ccc([C@H]2NCCCS2)cc1 ZINC000002036363 360424645 /nfs/dbraw/zinc/42/46/45/360424645.db2.gz QTUGKOYWNCJYIX-JTQLQIEISA-N 0 0 213.733 3.065 10 0 BGAERN O=C1CCC[C@H]1[C@H]1CCC2=C(CCC(=O)C2)C1 ZINC000002036719 368741444 /nfs/dbraw/zinc/74/14/44/368741444.db2.gz RWLDDDGIMQPRJX-JSGCOSHPSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CCC[C@@H]1[C@H]1CCC2=C(CCC(=O)C2)C1 ZINC000002036720 368741829 /nfs/dbraw/zinc/74/18/29/368741829.db2.gz RWLDDDGIMQPRJX-GXTWGEPZSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CCC[C@H]1[C@@H]1CCC2=C(CCC(=O)C2)C1 ZINC000002037020 368741763 /nfs/dbraw/zinc/74/17/63/368741763.db2.gz RWLDDDGIMQPRJX-OCCSQVGLSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CCC[C@@H]1[C@@H]1CCC2=C(CCC(=O)C2)C1 ZINC000002037021 368741219 /nfs/dbraw/zinc/74/12/19/368741219.db2.gz RWLDDDGIMQPRJX-TZMCWYRMSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CC[C@H]([C@H]2CCC3=C(CCC(=O)C3)C2)C1 ZINC000002037022 368741079 /nfs/dbraw/zinc/74/10/79/368741079.db2.gz SDZVHALAFXDEDC-GWCFXTLKSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CC[C@H]([C@@H]2CCC3=C(CCC(=O)C3)C2)C1 ZINC000002037024 368741686 /nfs/dbraw/zinc/74/16/86/368741686.db2.gz SDZVHALAFXDEDC-MFKMUULPSA-N 0 0 232.323 3.205 10 0 BGAERN O=C1CC[C@@H]([C@@H]2CCC3=C(CCC(=O)C3)C2)C1 ZINC000002037025 368741682 /nfs/dbraw/zinc/74/16/82/368741682.db2.gz SDZVHALAFXDEDC-ZWNOBZJWSA-N 0 0 232.323 3.205 10 0 BGAERN CCOC(=O)[C@H](CC)Oc1ccc(Cl)cc1 ZINC000002041632 170272654 /nfs/dbraw/zinc/27/26/54/170272654.db2.gz XMIAWPVBNYVQGW-NSHDSACASA-N 0 0 242.702 3.061 10 0 BGAERN CC(C)(C)C(=O)C[C@@H](O)c1ccc(Cl)cc1 ZINC000002042491 342715100 /nfs/dbraw/zinc/71/51/00/342715100.db2.gz KEMOKABOBGZZID-LLVKDONJSA-N 0 0 240.730 3.379 10 0 BGAERN CC1=CC[C@@H](OC(=O)c2ccccc2)CC1 ZINC000002047934 346094289 /nfs/dbraw/zinc/09/42/89/346094289.db2.gz FJHFITFUGYVWLT-CYBMUJFWSA-N 0 0 216.280 3.342 10 0 BGAERN c1ccc(C2=COc3ccccc3O2)cc1 ZINC000002145826 187242416 /nfs/dbraw/zinc/24/24/16/187242416.db2.gz PZCIQQNWTOBWLW-UHFFFAOYSA-N 0 0 210.232 3.456 10 0 BGAERN Cc1ccc(-c2cc(O)ccc2O)cc1 ZINC000002149458 178321450 /nfs/dbraw/zinc/32/14/50/178321450.db2.gz BRDIEXWCAJNNQS-UHFFFAOYSA-N 0 0 200.237 3.073 10 0 BGAERN CC(C)Oc1ccc(O)c2ccccc12 ZINC000002163985 167297011 /nfs/dbraw/zinc/29/70/11/167297011.db2.gz WMVPFEQOLJSBDR-UHFFFAOYSA-N 0 0 202.253 3.333 10 0 BGAERN CCn1c(C)nc2cc(C(F)(F)F)ccc21 ZINC000002168799 172138070 /nfs/dbraw/zinc/13/80/70/172138070.db2.gz LXNGDRGLRRDJOB-UHFFFAOYSA-N 0 0 228.217 3.383 10 0 BGAERN O=[N+]([O-])/C=C/c1cc(Cl)cc(Cl)c1 ZINC000002244104 342717312 /nfs/dbraw/zinc/71/73/12/342717312.db2.gz BOLSZOCEQQWBMP-OWOJBTEDSA-N 0 0 218.039 3.241 10 0 BGAERN CC(C)C(O)(C(C)C)[C@H](C)C(=O)OC(C)(C)C ZINC000002381225 342719438 /nfs/dbraw/zinc/71/94/38/342719438.db2.gz LAFRBXLKGGBMSE-LLVKDONJSA-N 0 0 244.375 3.007 10 0 BGAERN Cc1ccc(C=O)cc1OCc1ccccc1 ZINC000002382861 386399857 /nfs/dbraw/zinc/39/98/57/386399857.db2.gz FKUDZOTZLOZAII-UHFFFAOYSA-N 0 0 226.275 3.387 10 0 BGAERN Cc1ccc([C@@H]2OCCCS2)c(C)c1 ZINC000002385336 178878133 /nfs/dbraw/zinc/87/81/33/178878133.db2.gz BYGPFRBTJUXMIC-GFCCVEGCSA-N 0 0 208.326 3.456 10 0 BGAERN Cc1ccc(C)c([C@@H]2OCCCS2)c1 ZINC000002385339 178499145 /nfs/dbraw/zinc/49/91/45/178499145.db2.gz GQTJJQVWHOPVGE-GFCCVEGCSA-N 0 0 208.326 3.456 10 0 BGAERN Clc1ccc([C@@H]2OCCCS2)cc1 ZINC000002385343 180585778 /nfs/dbraw/zinc/58/57/78/180585778.db2.gz YEKYTBDTPGYVMO-SNVBAGLBSA-N 0 0 214.717 3.492 10 0 BGAERN CN(C)c1ccc(-c2ccc(C=O)s2)cc1 ZINC000002385720 592153318 /nfs/dbraw/zinc/15/33/18/592153318.db2.gz HWOFIKQEHJTDQH-UHFFFAOYSA-N 0 0 231.320 3.294 10 0 BGAERN CCOC(=O)CCCCCCC1=CCCC1=O ZINC000002389241 368805421 /nfs/dbraw/zinc/80/54/21/368805421.db2.gz OXWBFQQAUHFTHT-UHFFFAOYSA-N 0 0 238.327 3.179 10 0 BGAERN CC(C)(C)OP(C)(=O)OC(C)(C)C ZINC000002391183 342719793 /nfs/dbraw/zinc/71/97/93/342719793.db2.gz DLIATWKRLYRNFN-UHFFFAOYSA-N 0 0 208.238 3.440 10 0 BGAERN CCP(=O)(CC)C(C)(C)CC(C)=O ZINC000002391296 352501814 /nfs/dbraw/zinc/50/18/14/352501814.db2.gz BDKFDATZRFWSOF-UHFFFAOYSA-N 0 0 204.250 3.147 10 0 BGAERN OC[C@H](c1ccccc1)C1CCCCC1 ZINC000002470142 183145025 /nfs/dbraw/zinc/14/50/25/183145025.db2.gz OLPIQGGUMYMUNP-CQSZACIVSA-N 0 0 204.313 3.343 10 0 BGAERN OC[C@@H](c1ccccc1)C1CCCCC1 ZINC000002470143 183114038 /nfs/dbraw/zinc/11/40/38/183114038.db2.gz OLPIQGGUMYMUNP-AWEZNQCLSA-N 0 0 204.313 3.343 10 0 BGAERN CCc1ccc(OCCCCn2ccnc2)cc1 ZINC000002486282 133444556 /nfs/dbraw/zinc/44/45/56/133444556.db2.gz NRHUFCAEFOGFQG-UHFFFAOYSA-N 0 0 244.338 3.305 10 0 BGAERN O=C(Oc1ccccc1)c1cc(Cl)ccc1O ZINC000002507907 354581108 /nfs/dbraw/zinc/58/11/08/354581108.db2.gz ZHBKKKBMTBXYNH-UHFFFAOYSA-N 0 0 248.665 3.265 10 0 BGAERN [NH3+]Cc1c(Cl)cc(Cl)cc1Cl ZINC000002510268 342721795 /nfs/dbraw/zinc/72/17/95/342721795.db2.gz IBKDNYJEYFQCER-UHFFFAOYSA-N 0 0 210.491 3.106 10 0 BGAERN CCOC(=O)CCCCCC[C@H]1CCCC1=O ZINC000002512336 356634115 /nfs/dbraw/zinc/63/41/15/356634115.db2.gz FNXKYPCEPBQWRZ-LBPRGKRZSA-N 0 0 240.343 3.259 10 0 BGAERN FC(F)(F)c1snnc1-c1ccccc1 ZINC000002513578 188159832 /nfs/dbraw/zinc/15/98/32/188159832.db2.gz RATNYBVWIWCGIL-UHFFFAOYSA-N 0 0 230.214 3.224 10 0 BGAERN CCOC(=O)c1cc2cc(F)cc(Cl)c2[nH]1 ZINC000002513870 170293543 /nfs/dbraw/zinc/29/35/43/170293543.db2.gz NHKBYNBUBRJWJJ-UHFFFAOYSA-N 0 0 241.649 3.137 10 0 BGAERN CC(=O)Cc1ccccc1OCc1ccccc1 ZINC000002518623 356416241 /nfs/dbraw/zinc/41/62/41/356416241.db2.gz KVBKNMSGYOHIDV-UHFFFAOYSA-N 0 0 240.302 3.397 10 0 BGAERN CC(=O)Cc1cccc(OCc2ccccc2)c1 ZINC000002518624 187299234 /nfs/dbraw/zinc/29/92/34/187299234.db2.gz ABANISFJNIMLEP-UHFFFAOYSA-N 0 0 240.302 3.397 10 0 BGAERN CCOC(=O)N(c1ccccc1)c1ccccn1 ZINC000002524534 170238464 /nfs/dbraw/zinc/23/84/64/170238464.db2.gz VDYGNWAMRLGJLX-UHFFFAOYSA-N 0 0 242.278 3.376 10 0 BGAERN O=C(OC1CCCCCCC1)c1ccncc1 ZINC000002525018 342722521 /nfs/dbraw/zinc/72/25/21/342722521.db2.gz WDLCNRFWRSEKCE-UHFFFAOYSA-N 0 0 233.311 3.351 10 0 BGAERN COc1c(C=O)cccc1-c1ccccc1 ZINC000002525645 368845404 /nfs/dbraw/zinc/84/54/04/368845404.db2.gz TVDYLKSDOVQCEL-UHFFFAOYSA-N 0 0 212.248 3.175 10 0 BGAERN CC(=O)c1ccccc1-c1ccc(C)o1 ZINC000002525681 398280531 /nfs/dbraw/zinc/28/05/31/398280531.db2.gz KQSFUIRGJGRYGF-UHFFFAOYSA-N 0 0 200.237 3.458 10 0 BGAERN CC(=O)c1cccc(-c2ccc(C)o2)c1 ZINC000002525682 398280437 /nfs/dbraw/zinc/28/04/37/398280437.db2.gz XQPVXPLGFMGUOJ-UHFFFAOYSA-N 0 0 200.237 3.458 10 0 BGAERN CC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000002525683 398280617 /nfs/dbraw/zinc/28/06/17/398280617.db2.gz FXOZOMXGMIKOFD-UHFFFAOYSA-N 0 0 200.237 3.458 10 0 BGAERN COC(=O)c1cccc(-c2ccc(C)o2)c1 ZINC000002525687 398280544 /nfs/dbraw/zinc/28/05/44/398280544.db2.gz MZQAKZUVEOUJLA-UHFFFAOYSA-N 0 0 216.236 3.042 10 0 BGAERN COC(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000002525688 173864686 /nfs/dbraw/zinc/86/46/86/173864686.db2.gz FJPNKLXXHWBEFQ-UHFFFAOYSA-N 0 0 216.236 3.042 10 0 BGAERN CC1=CC(=O)O[C@]2(C[C@@H](C)CC[C@@H]2C(C)C)O1 ZINC000002526203 168092643 /nfs/dbraw/zinc/09/26/43/168092643.db2.gz WEUGLSGCWUMGED-SUHUHFCYSA-N 0 0 238.327 3.252 10 0 BGAERN C=Cc1ccc(-c2ccc(C=O)cn2)cc1 ZINC000002527564 187246161 /nfs/dbraw/zinc/24/61/61/187246161.db2.gz WXXVBTBOLKRKLX-UHFFFAOYSA-N 0 0 209.248 3.204 10 0 BGAERN CCc1ccc(-c2ccc(C=O)cn2)cc1 ZINC000002527568 171777581 /nfs/dbraw/zinc/77/75/81/171777581.db2.gz YDMGLUSINOAMJL-UHFFFAOYSA-N 0 0 211.264 3.124 10 0 BGAERN O=Cc1ccc(-c2ccc(F)c(Cl)c2)nc1 ZINC000002527580 182864160 /nfs/dbraw/zinc/86/41/60/182864160.db2.gz XMCBOEIBPXEPEV-UHFFFAOYSA-N 0 0 235.645 3.354 10 0 BGAERN CC(=O)[C@@H]1C[C@@H]2C=C(C)[C@H]1C[C@@H]2C(C)C ZINC000002534697 188100910 /nfs/dbraw/zinc/10/09/10/188100910.db2.gz MUKZVYSKXMCCLW-DGAVXFQQSA-N 0 0 206.329 3.450 10 0 BGAERN CCn1cc(CNc2ccc(C)cc2)c(C)n1 ZINC000002536246 172175458 /nfs/dbraw/zinc/17/54/58/172175458.db2.gz NPTQXQYOVYJPLF-UHFFFAOYSA-N 0 0 229.327 3.132 10 0 BGAERN CCc1cccc(NCc2cn(CC)nc2C)c1 ZINC000002536268 521770347 /nfs/dbraw/zinc/77/03/47/521770347.db2.gz ZAPVXJYNLAHGHS-UHFFFAOYSA-N 0 0 243.354 3.386 10 0 BGAERN CCn1ncc(CNc2ccc(C)cc2)c1C ZINC000002536278 172255046 /nfs/dbraw/zinc/25/50/46/172255046.db2.gz XAMCWGPGPJONEJ-UHFFFAOYSA-N 0 0 229.327 3.132 10 0 BGAERN CCn1ncc(CNc2cccc(C)c2)c1C ZINC000002536279 172254948 /nfs/dbraw/zinc/25/49/48/172254948.db2.gz KDUVIYOPKMHMPI-UHFFFAOYSA-N 0 0 229.327 3.132 10 0 BGAERN CCn1ncc(CNc2ccc(C)cc2C)c1C ZINC000002536282 172255285 /nfs/dbraw/zinc/25/52/85/172255285.db2.gz LOFKZLQYIHSUPD-UHFFFAOYSA-N 0 0 243.354 3.440 10 0 BGAERN CCn1ncc(CNc2ccc(C)c(C)c2)c1C ZINC000002536284 172255455 /nfs/dbraw/zinc/25/54/55/172255455.db2.gz YWHGPPRMJNBYAA-UHFFFAOYSA-N 0 0 243.354 3.440 10 0 BGAERN CCn1ncc(CNc2cc(C)cc(C)c2)c1C ZINC000002536288 172255347 /nfs/dbraw/zinc/25/53/47/172255347.db2.gz QYPRUEZWGYXXCQ-UHFFFAOYSA-N 0 0 243.354 3.440 10 0 BGAERN CCc1ccc(NCc2cnn(CC)c2C)cc1 ZINC000002536289 171821898 /nfs/dbraw/zinc/82/18/98/171821898.db2.gz SGYLDVINIGXZTP-UHFFFAOYSA-N 0 0 243.354 3.386 10 0 BGAERN CCc1cccc(NCc2cnn(CC)c2C)c1 ZINC000002536300 171863292 /nfs/dbraw/zinc/86/32/92/171863292.db2.gz SLAORURWQZRQBL-UHFFFAOYSA-N 0 0 243.354 3.386 10 0 BGAERN CCn1ncc(CNc2cc(C)ccc2F)c1C ZINC000002536301 172254836 /nfs/dbraw/zinc/25/48/36/172254836.db2.gz OSANLDHMKCTWDG-UHFFFAOYSA-N 0 0 247.317 3.271 10 0 BGAERN CCn1ncc(CNc2ccc(C)c(F)c2)c1C ZINC000002536307 172254848 /nfs/dbraw/zinc/25/48/48/172254848.db2.gz RQCLMGFPJCKUJX-UHFFFAOYSA-N 0 0 247.317 3.271 10 0 BGAERN CCn1ncc(CNc2cc(F)ccc2C)c1C ZINC000002536308 172255378 /nfs/dbraw/zinc/25/53/78/172255378.db2.gz FKUDDUKCARUPBS-UHFFFAOYSA-N 0 0 247.317 3.271 10 0 BGAERN CCc1cccc(NCc2ccn(CC)n2)c1 ZINC000002536364 521770095 /nfs/dbraw/zinc/77/00/95/521770095.db2.gz BYWROAYFBNDAFZ-UHFFFAOYSA-N 0 0 229.327 3.078 10 0 BGAERN Nc1cc2c3c(oc2c(Cl)c1)CCC3 ZINC000002538814 181684123 /nfs/dbraw/zinc/68/41/23/181684123.db2.gz YRBHVVBMHCLAHL-UHFFFAOYSA-N 0 0 207.660 3.157 10 0 BGAERN Cc1cc2cc(C(F)(F)F)cc(N)c2o1 ZINC000002538816 178294425 /nfs/dbraw/zinc/29/44/25/178294425.db2.gz OSPZGAWZNNDKIW-UHFFFAOYSA-N 0 0 215.174 3.342 10 0 BGAERN Cc1cc2c([nH]1)c(F)c(F)c(F)c2F ZINC000002539083 178278255 /nfs/dbraw/zinc/27/82/55/178278255.db2.gz KIVIMAMVSYJCOO-UHFFFAOYSA-N 0 0 203.138 3.033 10 0 BGAERN Cc1cc2c(n1C(=O)OC(C)(C)C)CCCC2=O ZINC000002540008 178292665 /nfs/dbraw/zinc/29/26/65/178292665.db2.gz NBZLWQRIGYDFRT-UHFFFAOYSA-N 0 0 249.310 3.099 10 0 BGAERN FC(F)(F)c1ccc2c(c1)OC(F)(F)O2 ZINC000002540281 180920251 /nfs/dbraw/zinc/92/02/51/180920251.db2.gz GJOCOCXBCQWAFC-UHFFFAOYSA-N 0 0 226.100 3.027 10 0 BGAERN Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1O ZINC000002540347 343880376 /nfs/dbraw/zinc/88/03/76/343880376.db2.gz BBLGGFMZPYQWAN-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN Cc1cc(SC(F)(F)F)ccc1N ZINC000002540380 178217794 /nfs/dbraw/zinc/21/77/94/178217794.db2.gz PIEAHFRYEQNQMO-UHFFFAOYSA-N 0 0 207.220 3.189 10 0 BGAERN Nc1ccc([C@H]2CC(F)(F)C2(F)F)cc1 ZINC000002540410 383999443 /nfs/dbraw/zinc/99/94/43/383999443.db2.gz OYEHRWHVODYPGD-MRVPVSSYSA-N 0 0 219.181 3.027 10 0 BGAERN Cc1ccc(OCc2csc(C=O)c2)cc1 ZINC000002554689 178816518 /nfs/dbraw/zinc/81/65/18/178816518.db2.gz AOOFNEICQZRRBH-UHFFFAOYSA-N 0 0 232.304 3.448 10 0 BGAERN O=C(Cc1cccs1)c1ccc(F)cc1 ZINC000002554911 182052862 /nfs/dbraw/zinc/05/28/62/182052862.db2.gz FTAPCXRRKVIHRO-UHFFFAOYSA-N 0 0 220.268 3.313 10 0 BGAERN Cc1ccc(C(=O)Cc2cccs2)cc1 ZINC000002554912 178375177 /nfs/dbraw/zinc/37/51/77/178375177.db2.gz XQWYTXFKCPIUIP-UHFFFAOYSA-N 0 0 216.305 3.482 10 0 BGAERN Cc1ccc(Nc2ccc(Cl)nn2)cc1 ZINC000002556170 371581091 /nfs/dbraw/zinc/58/10/91/371581091.db2.gz YDFIBZRYTAEYMQ-UHFFFAOYSA-N 0 0 219.675 3.182 10 0 BGAERN C[C@@H]1[C@H](C(=O)c2ccccc2)C1(Cl)Cl ZINC000002559156 371583063 /nfs/dbraw/zinc/58/30/63/371583063.db2.gz UKDORDFTBJYAHE-VXNVDRBHSA-N 0 0 229.106 3.309 10 0 BGAERN Cc1ccc(C(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000002559157 383975573 /nfs/dbraw/zinc/97/55/73/383975573.db2.gz ZRLYUJGXCPMEMC-SECBINFHSA-N 0 0 229.106 3.372 10 0 BGAERN CC(C)OP(=O)(OC(C)C)C(F)F ZINC000002559886 167281538 /nfs/dbraw/zinc/28/15/38/167281538.db2.gz LHZZAGSFNNHJKI-UHFFFAOYSA-N 0 0 216.164 3.252 10 0 BGAERN CCC(=O)c1cc(F)ccc1C(F)(F)F ZINC000002560201 371582769 /nfs/dbraw/zinc/58/27/69/371582769.db2.gz WAJYFLGDHCDRKN-UHFFFAOYSA-N 0 0 220.165 3.437 10 0 BGAERN C/C=C/COC(OC/C=C/C)OC/C=C/C ZINC000002563438 342786690 /nfs/dbraw/zinc/78/66/90/342786690.db2.gz GCQIJZJDZVTVCJ-OTWDQPKHSA-N 0 0 226.316 3.048 10 0 BGAERN O=C1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000002565439 356421369 /nfs/dbraw/zinc/42/13/69/356421369.db2.gz UMWCJVVBXKGDIV-INIZCTEOSA-N 0 0 222.287 3.334 10 0 BGAERN O=C1C[C@H](c2ccccc2)Oc2cccc(O)c21 ZINC000002566056 560187957 /nfs/dbraw/zinc/18/79/57/560187957.db2.gz CRWQDRUCLPDWEK-CQSZACIVSA-N 0 0 240.258 3.099 10 0 biogenic,in-vitro BGAERN C=Cc1ccc(CN2CCCCCC2=O)cc1 ZINC000002572038 358975924 /nfs/dbraw/zinc/97/59/24/358975924.db2.gz PAUIDNVNGDVPKU-UHFFFAOYSA-N 0 0 229.323 3.232 10 0 BGAERN Cc1c(C)c2c(c(C)c1O)CC[C@H](C)O2 ZINC000002573853 177577354 /nfs/dbraw/zinc/57/73/54/177577354.db2.gz PYQVCYCHUWIDIS-ZETCQYMHSA-N 0 0 206.285 3.031 10 0 BGAERN CC(C)c1ccc(O)c(-c2ccno2)c1 ZINC000002574002 342724986 /nfs/dbraw/zinc/72/49/86/342724986.db2.gz LLFVBKFDJZAAAT-UHFFFAOYSA-N 0 0 203.241 3.171 10 0 BGAERN O=C(c1ccc(F)cc1)c1cc(F)ccc1F ZINC000002574366 182660751 /nfs/dbraw/zinc/66/07/51/182660751.db2.gz ARDBFIWFPISBTP-UHFFFAOYSA-N 0 0 236.192 3.335 10 0 BGAERN CC[C@](OC)(c1nccs1)c1cccc(O)c1 ZINC000002576295 368370304 /nfs/dbraw/zinc/37/03/04/368370304.db2.gz XUJSTHPLYZTDJL-CYBMUJFWSA-N 0 0 249.335 3.149 10 0 BGAERN C[C@@H](O)c1ccc(C2CCCCC2)c(N)c1 ZINC000002576306 368369269 /nfs/dbraw/zinc/36/92/69/368369269.db2.gz IQENVRZTJLRLJS-SNVBAGLBSA-N 0 0 219.328 3.370 10 0 BGAERN COc1ccc(Cc2ccccc2OC)cc1 ZINC000002576309 188222997 /nfs/dbraw/zinc/22/29/97/188222997.db2.gz KVCVHSGCINIKCE-UHFFFAOYSA-N 0 0 228.291 3.295 10 0 BGAERN C/C(Br)=C(/C)Br ZINC000002579090 368848642 /nfs/dbraw/zinc/84/86/42/368848642.db2.gz SDEHPRGMSHJNMU-ONEGZZNKSA-N 0 0 213.900 3.028 10 0 BGAERN Cc1nn(Cc2ccccc2)c2ccccc12 ZINC000002579289 187246064 /nfs/dbraw/zinc/24/60/64/187246064.db2.gz LZTZFGBSJUIHRJ-UHFFFAOYSA-N 0 0 222.291 3.393 10 0 BGAERN CCCCCC[C@@H]1CCOC(C)(C)O1 ZINC000002581142 342725604 /nfs/dbraw/zinc/72/56/04/342725604.db2.gz NTQWEWCCBORJBD-LLVKDONJSA-N 0 0 200.322 3.498 10 0 BGAERN Cc1ccc(-c2nn(-c3ccccc3)cc2N)cc1 ZINC000002641196 178339866 /nfs/dbraw/zinc/33/98/66/178339866.db2.gz XWPFAWYHQCFLRZ-UHFFFAOYSA-N 0 0 249.317 3.430 10 0 BGAERN Cc1ccc(-c2n[nH]c(Cc3ccccc3)n2)cc1 ZINC000002709052 178331549 /nfs/dbraw/zinc/33/15/49/178331549.db2.gz ZNIHCGUDSNYVKB-UHFFFAOYSA-N 0 0 249.317 3.371 10 0 BGAERN Nc1ccc(F)cc1C(=O)c1ccc(Cl)cc1 ZINC000002730207 342726760 /nfs/dbraw/zinc/72/67/60/342726760.db2.gz HHQSWIFBOBTBEY-UHFFFAOYSA-N 0 0 249.672 3.292 10 0 BGAERN CCOCC(=O)Nc1ccccc1[C@H](C)CC ZINC000002734754 170349599 /nfs/dbraw/zinc/34/95/99/170349599.db2.gz WSQMRWWYFZKHRD-LLVKDONJSA-N 0 0 235.327 3.175 10 0 BGAERN CCOCC(=O)Nc1ccccc1[C@@H](C)CC ZINC000002734755 170349444 /nfs/dbraw/zinc/34/94/44/170349444.db2.gz WSQMRWWYFZKHRD-NSHDSACASA-N 0 0 235.327 3.175 10 0 BGAERN Cc1ccccc1CNC(=O)Nc1cccs1 ZINC000002908186 179279358 /nfs/dbraw/zinc/27/93/58/179279358.db2.gz KZWRDATYTAUNON-UHFFFAOYSA-N 0 0 246.335 3.378 10 0 BGAERN O=C(NCc1cccs1)Nc1cccs1 ZINC000002908227 182264769 /nfs/dbraw/zinc/26/47/69/182264769.db2.gz PLUQJMSGKXZBHK-UHFFFAOYSA-N 0 0 238.337 3.131 10 0 aggregator BGAERN CCOC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000003065304 170243920 /nfs/dbraw/zinc/24/39/20/170243920.db2.gz GPXHOHNHAQLWID-UHFFFAOYSA-N 0 0 248.307 3.379 10 0 BGAERN Cc1cc(C)c(I)cc1C ZINC000003075483 383995663 /nfs/dbraw/zinc/99/56/63/383995663.db2.gz SDZOPOGDVMNRFA-UHFFFAOYSA-N 0 0 246.091 3.216 10 0 BGAERN CCCC(=O)c1ccc2c(c1)OCCCCO2 ZINC000003093351 168572405 /nfs/dbraw/zinc/57/24/05/168572405.db2.gz ZYTGLMUQJNJCBX-UHFFFAOYSA-N 0 0 234.295 3.221 10 0 BGAERN CC(=O)c1cnn(Cc2ccc(Cl)cc2)c1C ZINC000003093707 188101102 /nfs/dbraw/zinc/10/11/02/188101102.db2.gz HYMFJTADPPMHNN-UHFFFAOYSA-N 0 0 248.713 3.096 10 0 BGAERN Cc1cccc(N2Cc3ccccc3C2=N)c1 ZINC000003111505 179123650 /nfs/dbraw/zinc/12/36/50/179123650.db2.gz IYKZJOCPSUUZTG-UHFFFAOYSA-N 0 0 222.291 3.341 10 0 BGAERN OC[C@H](Cc1ccccc1)c1ccccc1 ZINC000003122023 183138985 /nfs/dbraw/zinc/13/89/85/183138985.db2.gz IITXBLBBWAPMPY-HNNXBMFYSA-N 0 0 212.292 3.005 10 0 BGAERN OC[C@@H](Cc1ccccc1)c1ccccc1 ZINC000003122024 183106267 /nfs/dbraw/zinc/10/62/67/183106267.db2.gz IITXBLBBWAPMPY-OAHLLOKOSA-N 0 0 212.292 3.005 10 0 BGAERN C[C@H]1[C@@H](C(=O)c2ccccc2)C1(Cl)Cl ZINC000003128939 388364815 /nfs/dbraw/zinc/36/48/15/388364815.db2.gz UKDORDFTBJYAHE-CBAPKCEASA-N 0 0 229.106 3.309 10 0 BGAERN C[C@@H]1[C@@H](C(=O)c2ccccc2)C1(Cl)Cl ZINC000003128940 388365099 /nfs/dbraw/zinc/36/50/99/388365099.db2.gz UKDORDFTBJYAHE-APPZFPTMSA-N 0 0 229.106 3.309 10 0 BGAERN C[C@H]1[C@H](C(=O)c2ccccc2)C1(Cl)Cl ZINC000003128941 388364669 /nfs/dbraw/zinc/36/46/69/388364669.db2.gz UKDORDFTBJYAHE-IONNQARKSA-N 0 0 229.106 3.309 10 0 BGAERN Cc1ccc(C(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000003128942 178445305 /nfs/dbraw/zinc/44/53/05/178445305.db2.gz ZRLYUJGXCPMEMC-VIFPVBQESA-N 0 0 229.106 3.372 10 0 BGAERN CC1(C)O[C@](O)(c2ccccc2)c2ccccc21 ZINC000003130053 342730805 /nfs/dbraw/zinc/73/08/05/342730805.db2.gz XNIDDCSFMRIISS-MRXNPFEDSA-N 0 0 240.302 3.145 10 0 BGAERN CC1(C)O[C@@](O)(c2ccccc2)c2ccccc21 ZINC000003130054 342730924 /nfs/dbraw/zinc/73/09/24/342730924.db2.gz XNIDDCSFMRIISS-INIZCTEOSA-N 0 0 240.302 3.145 10 0 BGAERN CCCc1nnc(NC2CCCCC2)s1 ZINC000003130082 346556573 /nfs/dbraw/zinc/55/65/73/346556573.db2.gz RPGCGFRHDFLDOI-UHFFFAOYSA-N 0 0 225.361 3.235 10 0 BGAERN CC(C)[C@](C)(O)CCCC[C@](C)(O)C(C)C ZINC000003160676 188457251 /nfs/dbraw/zinc/45/72/51/188457251.db2.gz UDMXCJJIYCTIMV-OKILXGFUSA-N 0 0 230.392 3.361 10 0 BGAERN COc1ccc([C@@H](C(C)=O)c2ccccc2)cc1 ZINC000003161075 342731213 /nfs/dbraw/zinc/73/12/13/342731213.db2.gz MYTNGMJJTGIKKN-INIZCTEOSA-N 0 0 240.302 3.416 10 0 BGAERN COc1ccc([C@H](C(C)=O)c2ccccc2)cc1 ZINC000003161076 175187330 /nfs/dbraw/zinc/18/73/30/175187330.db2.gz MYTNGMJJTGIKKN-MRXNPFEDSA-N 0 0 240.302 3.416 10 0 BGAERN C/C(=C/c1ccccc1)C(=O)NC(C)(C)C ZINC000003161398 187585080 /nfs/dbraw/zinc/58/50/80/187585080.db2.gz BZNATSCPAIBELM-KHPPLWFESA-N 0 0 217.312 3.005 10 0 BGAERN CC(=O)Nc1ccccc1/C=C/Br ZINC000003168144 537957803 /nfs/dbraw/zinc/95/78/03/537957803.db2.gz WNSLUYHYNFKTBT-VOTSOKGWSA-N 0 0 240.100 3.011 10 0 BGAERN CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@]2(C)CCC1=O ZINC000003171713 560188688 /nfs/dbraw/zinc/18/86/88/560188688.db2.gz PPGUUDJMTMGALC-YIKOMLBNSA-N 0 0 236.355 3.339 10 0 in-vitro BGAERN CCC(CC)c1nc(Cl)nc(Cl)n1 ZINC000003172672 383998628 /nfs/dbraw/zinc/99/86/28/383998628.db2.gz LFHMYQYMUUFPBR-UHFFFAOYSA-N 0 0 220.103 3.082 10 0 BGAERN CCOC(=O)c1cc(=S)c2ccccc2o1 ZINC000003200973 170290999 /nfs/dbraw/zinc/29/09/99/170290999.db2.gz DXWBCHFGULQNLY-UHFFFAOYSA-N 0 0 234.276 3.339 10 0 BGAERN COc1ccc(O)cc1-c1ccccc1 ZINC000003203621 175161670 /nfs/dbraw/zinc/16/16/70/175161670.db2.gz XZIMMDINMCPWLO-UHFFFAOYSA-N 0 0 200.237 3.068 10 0 BGAERN CC/C(=C/c1ccccc1Cl)[N+](=O)[O-] ZINC000003204492 167817790 /nfs/dbraw/zinc/81/77/90/167817790.db2.gz DFJXOJLVKWMOGL-CLFYSBASSA-N 0 0 211.648 3.368 10 0 BGAERN O=C(CSCc1ccco1)c1cccs1 ZINC000003217701 182009550 /nfs/dbraw/zinc/00/95/50/182009550.db2.gz VGGJZPMOZDATTI-UHFFFAOYSA-N 0 0 238.333 3.457 10 0 BGAERN O=C(CSC1CCCC1)c1ccco1 ZINC000003222996 182007103 /nfs/dbraw/zinc/00/71/03/182007103.db2.gz BWJFPBRIUVOZOW-UHFFFAOYSA-N 0 0 210.298 3.138 10 0 BGAERN CSc1nnc(Nc2ccccc2C)s1 ZINC000003276493 175592507 /nfs/dbraw/zinc/59/25/07/175592507.db2.gz AMFQPIZCJNMUFD-UHFFFAOYSA-N 0 0 237.353 3.312 10 0 BGAERN O=C(CN1CCCCC1)c1ccccc1Cl ZINC000003291466 371945654 /nfs/dbraw/zinc/94/56/54/371945654.db2.gz MZTFUWNAMYBSTO-UHFFFAOYSA-N 0 0 237.730 3.009 10 0 BGAERN CC1=CC(C)(C)NC(=O)N1c1cccc(F)c1 ZINC000003363264 132315514 /nfs/dbraw/zinc/31/55/14/132315514.db2.gz UPJBLXRTWZLMPQ-UHFFFAOYSA-N 0 0 234.274 3.038 10 0 BGAERN C[C@@H](Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000003536853 175933685 /nfs/dbraw/zinc/93/36/85/175933685.db2.gz FFWLCGYVBLREMG-GFCCVEGCSA-N 0 0 240.306 3.126 10 0 BGAERN C[C@H](O)c1cccc(Cc2ccccc2)c1 ZINC000003600282 398324400 /nfs/dbraw/zinc/32/44/00/398324400.db2.gz SYZABQBDHZTRPV-LBPRGKRZSA-N 0 0 212.292 3.331 10 0 BGAERN C[C@@H](O)c1cccc(Cc2ccccc2)c1 ZINC000003600284 398324432 /nfs/dbraw/zinc/32/44/32/398324432.db2.gz SYZABQBDHZTRPV-GFCCVEGCSA-N 0 0 212.292 3.331 10 0 BGAERN C[C@H](O)c1ccc2c(c1)Cc1ccccc1O2 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/nfs/dbraw/zinc/73/55/67/342735567.db2.gz FARNLTSMHCWTRK-ZDUSSCGKSA-N 0 0 202.234 3.431 10 0 BGAERN CCCCCO[P@]1(=O)CC=C(C)C1 ZINC000003639105 368875621 /nfs/dbraw/zinc/87/56/21/368875621.db2.gz FARNLTSMHCWTRK-CYBMUJFWSA-N 0 0 202.234 3.431 10 0 BGAERN CCn1c(=S)ccc2ccc(OC)cc21 ZINC000003639759 172133315 /nfs/dbraw/zinc/13/33/15/172133315.db2.gz VUHNUGWFILOWLL-UHFFFAOYSA-N 0 0 219.309 3.399 10 0 BGAERN Cc1ncn(Nc2cccc(Cl)c2)c1C ZINC000003641465 180289161 /nfs/dbraw/zinc/28/91/61/180289161.db2.gz NELSTVADQULODT-UHFFFAOYSA-N 0 0 221.691 3.029 10 0 BGAERN Clc1cccc(Nn2cnc3c2CCCC3)c1 ZINC000003641472 368876919 /nfs/dbraw/zinc/87/69/19/368876919.db2.gz JQSWDCGQVFHWOG-UHFFFAOYSA-N 0 0 247.729 3.291 10 0 BGAERN CC(=O)c1cc2c(c(C(C)C)c1)CC[C@@]2(C)O ZINC000003652942 560189279 /nfs/dbraw/zinc/18/92/79/560189279.db2.gz QMVDVUGKEIJAKJ-OAHLLOKOSA-N 0 0 232.323 3.166 10 0 biogenic,in-vitro BGAERN C[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)O1 ZINC000003654484 187242452 /nfs/dbraw/zinc/24/24/52/187242452.db2.gz 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COc1ccc([C@H]2Cc3ccccc3N2)cc1 ZINC000003714983 175198092 /nfs/dbraw/zinc/19/80/92/175198092.db2.gz MLUVOLAXZYCPKK-OAHLLOKOSA-N 0 0 225.291 3.405 10 0 BGAERN COc1ccc([C@@H]2Cc3ccccc3N2)cc1 ZINC000003714984 175185169 /nfs/dbraw/zinc/18/51/69/175185169.db2.gz MLUVOLAXZYCPKK-HNNXBMFYSA-N 0 0 225.291 3.405 10 0 BGAERN COc1cccc([C@H]2Cc3ccccc3N2)c1 ZINC000003714985 175296936 /nfs/dbraw/zinc/29/69/36/175296936.db2.gz YBUJBAYMXKVSSM-OAHLLOKOSA-N 0 0 225.291 3.405 10 0 BGAERN COc1cccc([C@@H]2Cc3ccccc3N2)c1 ZINC000003714986 175291172 /nfs/dbraw/zinc/29/11/72/175291172.db2.gz YBUJBAYMXKVSSM-HNNXBMFYSA-N 0 0 225.291 3.405 10 0 BGAERN COc1ccccc1[C@H]1Cc2ccccc2N1 ZINC000003714987 175355273 /nfs/dbraw/zinc/35/52/73/175355273.db2.gz RQOWMWNBFGCQQA-CQSZACIVSA-N 0 0 225.291 3.405 10 0 BGAERN COc1ccccc1[C@@H]1Cc2ccccc2N1 ZINC000003714988 175349618 /nfs/dbraw/zinc/34/96/18/175349618.db2.gz RQOWMWNBFGCQQA-AWEZNQCLSA-N 0 0 225.291 3.405 10 0 BGAERN c1csc([C@@H]2Cc3ccccc3N2)c1 ZINC000003715012 342737005 /nfs/dbraw/zinc/73/70/05/342737005.db2.gz FOJDYBTXNRULIU-NSHDSACASA-N 0 0 201.294 3.457 10 0 BGAERN c1csc([C@H]2Cc3ccccc3N2)c1 ZINC000003715013 342736917 /nfs/dbraw/zinc/73/69/17/342736917.db2.gz FOJDYBTXNRULIU-LLVKDONJSA-N 0 0 201.294 3.457 10 0 BGAERN Nc1nnc(-c2cc(Cl)ccc2Cl)s1 ZINC000003716275 181812198 /nfs/dbraw/zinc/81/21/98/181812198.db2.gz JQKZXEMQRNDVCO-UHFFFAOYSA-N 0 0 246.122 3.094 10 0 BGAERN Oc1ccc(N[C@@H]2CCc3ccccc3C2)cc1 ZINC000003779343 183276426 /nfs/dbraw/zinc/27/64/26/183276426.db2.gz PEYFLWVFFHEZSO-OAHLLOKOSA-N 0 0 239.318 3.362 10 0 BGAERN O=C1c2ccccc2[C@]2(c3ccccc3)CCCN12 ZINC000003787470 384025088 /nfs/dbraw/zinc/02/50/88/384025088.db2.gz XNYDFVOFZSYAQP-QGZVFWFLSA-N 0 0 249.313 3.180 10 0 BGAERN Nc1nc(-c2cccc3ccccc32)co1 ZINC000003817445 181777712 /nfs/dbraw/zinc/77/77/12/181777712.db2.gz CFKWTZWWRBCTIQ-UHFFFAOYSA-N 0 0 210.236 3.077 10 0 BGAERN Cc1cc(O)ccc1-c1noc2cc(O)ccc21 ZINC000003819166 178199697 /nfs/dbraw/zinc/19/96/97/178199697.db2.gz YDXZMUYZJVNAOG-UHFFFAOYSA-N 0 0 241.246 3.214 10 0 BGAERN Cc1cc(-c2noc3cc(O)ccc32)ccc1O ZINC000003819168 368882439 /nfs/dbraw/zinc/88/24/39/368882439.db2.gz OQEKDDUAVUDQDZ-UHFFFAOYSA-N 0 0 241.246 3.214 10 0 BGAERN Oc1ccc2c(c1)onc2-c1ccc(O)c(F)c1 ZINC000003819172 183277987 /nfs/dbraw/zinc/27/79/87/183277987.db2.gz VUKZORIGDKQPQQ-UHFFFAOYSA-N 0 0 245.209 3.045 10 0 BGAERN C(=Cc1cccnc1)c1n[nH]c2ccccc12 ZINC000003820637 187247289 /nfs/dbraw/zinc/24/72/89/187247289.db2.gz HWDBUEBDESOCBK-BQYQJAHWSA-N 0 0 221.263 3.128 10 0 BGAERN C[C@H](c1c[nH]cn1)[C@H]1CCc2ccccc21 ZINC000003822127 177031532 /nfs/dbraw/zinc/03/15/32/177031532.db2.gz YVTUUJAFPXQJIA-CMPLNLGQSA-N 0 0 212.296 3.243 10 0 BGAERN Cc1cccc2c1CCC[C@@H]2c1c[nH]cn1 ZINC000003826261 179213277 /nfs/dbraw/zinc/21/32/77/179213277.db2.gz PBKUWTSPSPWXNE-ZDUSSCGKSA-N 0 0 212.296 3.186 10 0 BGAERN CCOC(=O)[C@@H](CC)c1ccc(C)cc1 ZINC000003846365 170251197 /nfs/dbraw/zinc/25/11/97/170251197.db2.gz OGXVABJPQYODNJ-LBPRGKRZSA-N 0 0 206.285 3.052 10 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387555653 /nfs/dbraw/zinc/55/56/53/387555653.db2.gz BNQJEMTZUOVMLM-UHFFFAOYSA-N 0 0 248.285 3.001 10 0 in-vivo BGAERN O=c1cc(Oc2ccccc2)c2ccccc2[nH]1 ZINC000003944862 368889237 /nfs/dbraw/zinc/88/92/37/368889237.db2.gz OTSZBTCBBXCPJT-UHFFFAOYSA-N 0 0 237.258 3.320 10 0 BGAERN c1n[nH]c2cc(N[C@H]3C[C@H]4CC[C@@H]3C4)ccc12 ZINC000004009797 183374878 /nfs/dbraw/zinc/37/48/78/183374878.db2.gz LZAYLGSOPOTJMC-CWSCBRNRSA-N 0 0 227.311 3.163 10 0 BGAERN Cc1ccc(NC(=O)Cn2cccc2)cc1Cl ZINC000004034863 187247154 /nfs/dbraw/zinc/24/71/54/187247154.db2.gz OYCABAMCLOHZTE-UHFFFAOYSA-N 0 0 248.713 3.089 10 0 BGAERN CC[C@H](O)Cc1ccc2ccccc2c1 ZINC000004071933 411498673 /nfs/dbraw/zinc/49/86/73/411498673.db2.gz CTCCNUFOJSWFIX-AWEZNQCLSA-N 0 0 200.281 3.153 10 0 BGAERN CC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000004071934 411499055 /nfs/dbraw/zinc/49/90/55/411499055.db2.gz CTCCNUFOJSWFIX-CQSZACIVSA-N 0 0 200.281 3.153 10 0 BGAERN O=C1CC[C@@H](c2cccc3ccccc32)O1 ZINC000004072268 182750063 /nfs/dbraw/zinc/75/00/63/182750063.db2.gz XWWREWOYBQYSNW-ZDUSSCGKSA-N 0 0 212.248 3.218 10 0 in-vitro BGAERN O=C1CC[C@H](c2cccc3ccccc32)O1 ZINC000004072270 352557981 /nfs/dbraw/zinc/55/79/81/352557981.db2.gz XWWREWOYBQYSNW-CYBMUJFWSA-N 0 0 212.248 3.218 10 0 in-vitro BGAERN Cc1c(Cl)cccc1NC(=O)Cn1cccc1 ZINC000004076298 187247000 /nfs/dbraw/zinc/24/70/00/187247000.db2.gz VTKTZWABCNHGLX-UHFFFAOYSA-N 0 0 248.713 3.089 10 0 BGAERN CC1=C2C[C@@]3(C)[C@H](CCC[C@@H]3C)C[C@@H]2OC1=O ZINC000004098067 290778954 /nfs/dbraw/zinc/77/89/54/290778954.db2.gz AEQDXSFIHGWHDV-XPGAZNKBSA-N 0 0 234.339 3.465 10 0 biogenic,in-vitro BGAERN Oc1ccc([C@@H]2CCc3ccc(O)cc3O2)cc1 ZINC000004098249 187247010 /nfs/dbraw/zinc/24/70/10/187247010.db2.gz YXMLGIGHGPSEKA-AWEZNQCLSA-N 0 0 242.274 3.164 10 0 biogenic,in-vitro BGAERN CC(C)[C@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)CC[C@]12O3 ZINC000004098254 560195396 /nfs/dbraw/zinc/19/53/96/560195396.db2.gz VLIUMVVQGMLOJG-SEBNEYGDSA-N 0 0 238.371 3.131 10 0 in-vitro BGAERN 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Cc1ccccc1C(=O)Oc1ccc(C=O)cc1 ZINC000004201719 179253220 /nfs/dbraw/zinc/25/32/20/179253220.db2.gz OCUIRLMLMLKQCX-UHFFFAOYSA-N 0 0 240.258 3.027 10 0 BGAERN Cc1c(N)cccc1OCc1ccccc1 ZINC000004204196 372168241 /nfs/dbraw/zinc/16/82/41/372168241.db2.gz IHMXLABJHKKMTC-UHFFFAOYSA-N 0 0 213.280 3.156 10 0 BGAERN OCc1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000004204223 183161471 /nfs/dbraw/zinc/16/14/71/183161471.db2.gz IIHYFAOWKMKLES-UHFFFAOYSA-N 0 0 220.218 3.124 10 0 BGAERN OCc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000004204225 183167392 /nfs/dbraw/zinc/16/73/92/183167392.db2.gz FVTLCIRYYNDNKT-UHFFFAOYSA-N 0 0 220.218 3.124 10 0 BGAERN OCc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000004204227 183161475 /nfs/dbraw/zinc/16/14/75/183161475.db2.gz ZXSVUJOHOVCESC-UHFFFAOYSA-N 0 0 220.218 3.124 10 0 BGAERN Cc1ccc(-c2ccc(CO)cc2)cc1C ZINC000004204242 178324730 /nfs/dbraw/zinc/32/47/30/178324730.db2.gz QKLUCQIOHHUAMH-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1cc(C)cc(-c2ccc(CO)cc2)c1 ZINC000004204245 177889558 /nfs/dbraw/zinc/88/95/58/177889558.db2.gz FGQPNLRLHZSJMO-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1cc(C)cc(-c2cccc(CO)c2)c1 ZINC000004204248 384045207 /nfs/dbraw/zinc/04/52/07/384045207.db2.gz UIDIQLBXJKMKTK-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1cc(-c2ccc(CO)cc2)ccc1F ZINC000004204254 342744051 /nfs/dbraw/zinc/74/40/51/342744051.db2.gz MXNAXBOKCFWUAF-UHFFFAOYSA-N 0 0 216.255 3.293 10 0 BGAERN COc1ccc(-c2ccc(C=O)cc2)cc1C ZINC000004204291 175033200 /nfs/dbraw/zinc/03/32/00/175033200.db2.gz SSWRZIJWTFZXTL-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN COc1ccc(-c2cccc(C=O)c2)cc1C ZINC000004204294 175034248 /nfs/dbraw/zinc/03/42/48/175034248.db2.gz WTCVMSVKOJAHPZ-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN Nc1cc(-c2ccc3ccccc3c2)on1 ZINC000004234608 187247012 /nfs/dbraw/zinc/24/70/12/187247012.db2.gz NAYSSSDZGULHNJ-UHFFFAOYSA-N 0 0 210.236 3.077 10 0 BGAERN Fc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000004243137 342745422 /nfs/dbraw/zinc/74/54/22/342745422.db2.gz JWQVMMHWTAFPQR-UHFFFAOYSA-N 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/nfs/dbraw/zinc/07/57/64/384075764.db2.gz SHMJVHGBOKXAFD-LHPPQBTOSA-N 0 0 237.302 3.234 10 0 BGAERN CCc1nnc(-c2cc3ccccc3[nH]2)s1 ZINC000004694228 172045494 /nfs/dbraw/zinc/04/54/94/172045494.db2.gz IBDNRYHTAUYKHQ-UHFFFAOYSA-N 0 0 229.308 3.249 10 0 BGAERN O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(Cl)c1 ZINC000004702117 182344708 /nfs/dbraw/zinc/34/47/08/182344708.db2.gz KIDDIYHMTIAMTB-CWSCBRNRSA-N 0 0 249.741 3.258 10 0 BGAERN Cc1ccc(C(=O)C(C)(C)Br)cc1 ZINC000004775522 178371284 /nfs/dbraw/zinc/37/12/84/178371284.db2.gz OSDWQWUJCJPFNB-UHFFFAOYSA-N 0 0 241.128 3.351 10 0 BGAERN CC(=O)C(Sc1ccccc1)=C(C)O ZINC000004879376 368980319 /nfs/dbraw/zinc/98/03/19/368980319.db2.gz FWVMIMOHQZCNAW-DHZHZOJOSA-N 0 0 208.282 3.157 10 0 BGAERN O=C1CC[C@@H]([C@H]2CCC3=CC(=O)CC[C@@H]3C2)C1 ZINC000004887099 342753716 /nfs/dbraw/zinc/75/37/16/342753716.db2.gz UKXCLYHDMMQTNT-DMDPSCGWSA-N 0 0 232.323 3.061 10 0 BGAERN Cc1ccc(NC(=O)Nc2cccs2)nc1 ZINC000004912176 344827292 /nfs/dbraw/zinc/82/72/92/344827292.db2.gz 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10 0 BGAERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000005062700 177081756 /nfs/dbraw/zinc/08/17/56/177081756.db2.gz FZFPOFZTCRJCPQ-BJKSPJJASA-N 0 0 243.350 3.395 10 0 BGAERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccccc1 ZINC000005062702 177087464 /nfs/dbraw/zinc/08/74/64/177087464.db2.gz FZFPOFZTCRJCPQ-SJKUJVLLSA-N 0 0 243.350 3.395 10 0 BGAERN O=C(Nc1ccccc1)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000005102385 182377178 /nfs/dbraw/zinc/37/71/78/182377178.db2.gz OYBGVILRANZFNU-LOWVWBTDSA-N 0 0 215.296 3.061 10 0 BGAERN c1c[nH]c([C@@H]2Nc3ccccc3S2)c1 ZINC000005104771 183326797 /nfs/dbraw/zinc/32/67/97/183326797.db2.gz TWDUIGDCMXGSRY-LLVKDONJSA-N 0 0 202.282 3.231 10 0 BGAERN CC(C)N1OC(C)(C)[C@@H]2CC[C@@H](C)C[C@H]21 ZINC000005106105 167035607 /nfs/dbraw/zinc/03/56/07/167035607.db2.gz NANSZPPPRQQTJB-IJLUTSLNSA-N 0 0 211.349 3.225 10 0 BGAERN CC(C)N1OC(C)(C)[C@H]2CC[C@@H](C)C[C@H]21 ZINC000005106107 167035960 /nfs/dbraw/zinc/03/59/60/167035960.db2.gz NANSZPPPRQQTJB-GRYCIOLGSA-N 0 0 211.349 3.225 10 0 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170555947 /nfs/dbraw/zinc/55/59/47/170555947.db2.gz XXJMDOIBGIZHNR-UHFFFAOYSA-N 0 0 237.343 3.330 10 0 BGAERN CCN(c1nccs1)c1ccccc1 ZINC000005139651 342758874 /nfs/dbraw/zinc/75/88/74/342758874.db2.gz OVOQSWSEMQNRNR-UHFFFAOYSA-N 0 0 204.298 3.301 10 0 BGAERN CCOc1cc2c(cn1)[nH]c1ccccc12 ZINC000005139892 369005570 /nfs/dbraw/zinc/00/55/70/369005570.db2.gz FNNPSIGQQWCKKB-UHFFFAOYSA-N 0 0 212.252 3.115 10 0 in-vivo BGAERN COc1cccc(/C=C/c2ccc(N)cc2)c1 ZINC000005141348 175241066 /nfs/dbraw/zinc/24/10/66/175241066.db2.gz KQIPLUOUWQXDOT-AATRIKPKSA-N 0 0 225.291 3.448 10 0 in-vivo BGAERN Cc1ccc(C)c(NC(=O)[C@@H](C)n2cccc2)c1 ZINC000005151252 384516347 /nfs/dbraw/zinc/51/63/47/384516347.db2.gz MFNOLBXOTONALS-CYBMUJFWSA-N 0 0 242.322 3.305 10 0 BGAERN Cc1ccc(C)c(NC(=O)[C@H](C)n2cccc2)c1 ZINC000005151253 386817882 /nfs/dbraw/zinc/81/78/82/386817882.db2.gz MFNOLBXOTONALS-ZDUSSCGKSA-N 0 0 242.322 3.305 10 0 BGAERN CC(C)=CCC/C(C)=C/CC1OCCO1 ZINC000005158567 342758925 /nfs/dbraw/zinc/75/89/25/342758925.db2.gz XCESWGXOHXDKAJ-KPKJPENVSA-N 0 0 210.317 3.442 10 0 BGAERN COC(=O)/C=C/c1ccc(O)c(CC=C(C)C)c1 ZINC000005159006 173496265 /nfs/dbraw/zinc/49/62/65/173496265.db2.gz LZEOAWXRNGQEHO-RMKNXTFCSA-N 0 0 246.306 3.087 10 0 BGAERN COC(=O)CCc1ccc(O)c(CC=C(C)C)c1 ZINC000005159010 560110155 /nfs/dbraw/zinc/11/01/55/560110155.db2.gz VFIMEMJFCJMRSC-UHFFFAOYSA-N 0 0 248.322 3.007 10 0 biogenic BGAERN CC(=O)Nc1ccc2c(c1)[nH]c1ccccc12 ZINC000005160864 187247837 /nfs/dbraw/zinc/24/78/37/187247837.db2.gz QYMUFCDNSROFHA-UHFFFAOYSA-N 0 0 224.263 3.280 10 0 BGAERN Cn1c2cnccc2c2ccc(Cl)cc21 ZINC000005161525 180627175 /nfs/dbraw/zinc/62/71/75/180627175.db2.gz CRAMILMCKLDURA-UHFFFAOYSA-N 0 0 216.671 3.380 10 0 BGAERN c1cc(-c2ccncc2)nc(-c2ccncc2)c1 ZINC000005162016 183329112 /nfs/dbraw/zinc/32/91/12/183329112.db2.gz KUWORGFJPZWJPK-UHFFFAOYSA-N 0 0 233.274 3.206 10 0 BGAERN Brc1ccc2[nH]c3cnccc3c2c1 ZINC000005162055 166099318 /nfs/dbraw/zinc/09/93/18/166099318.db2.gz 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/nfs/dbraw/zinc/30/88/54/132308854.db2.gz MOGASTIXMIUDMK-UHFFFAOYSA-N 0 0 202.257 3.370 10 0 BGAERN CCCN(CCC)C(=O)/C=C/c1ccc(F)cc1 ZINC000005468135 169139631 /nfs/dbraw/zinc/13/96/31/169139631.db2.gz XDQHDYMYPMJHHH-JXMROGBWSA-N 0 0 249.329 3.488 10 0 BGAERN CCNC(=O)/C=C/c1c(Cl)cccc1Cl ZINC000005471971 170042441 /nfs/dbraw/zinc/04/24/41/170042441.db2.gz DTBNAIDFWUMJGK-VOTSOKGWSA-N 0 0 244.121 3.143 10 0 BGAERN CCO[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005474795 170479184 /nfs/dbraw/zinc/47/91/84/170479184.db2.gz GATJXTZLXKIOIJ-CVEARBPZSA-N 0 0 242.318 3.498 10 0 BGAERN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000005476331 170804316 /nfs/dbraw/zinc/80/43/16/170804316.db2.gz AUKMNOZOEARSAH-BXUZGUMPSA-N 0 0 247.338 3.318 10 0 BGAERN O=C1O[C@](Cl)(c2ccccc2)c2ccccc21 ZINC000005488885 182837684 /nfs/dbraw/zinc/83/76/84/182837684.db2.gz CAYYZOKWYGGFAV-CQSZACIVSA-N 0 0 244.677 3.297 10 0 BGAERN CCSc1nc2c3ccccc3[nH]c2[nH]1 ZINC000005489391 170657098 /nfs/dbraw/zinc/65/70/98/170657098.db2.gz 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c1nc(-c2nc3ccccc3s2)cs1 ZINC000005519635 384117119 /nfs/dbraw/zinc/11/71/19/384117119.db2.gz FMVXGLFPMQJUKT-UHFFFAOYSA-N 0 0 218.306 3.420 10 0 BGAERN c1ccc2nn(CC3CCCCC3)nc2c1 ZINC000005519767 183459712 /nfs/dbraw/zinc/45/97/12/183459712.db2.gz RQOGXNFVVKIOGS-UHFFFAOYSA-N 0 0 215.300 3.012 10 0 BGAERN C[C@@H]1CCc2cc(F)ccc2N1C(=O)C1CCC1 ZINC000005528156 132293028 /nfs/dbraw/zinc/29/30/28/132293028.db2.gz BNELWPQBFNIKKA-SNVBAGLBSA-N 0 0 247.313 3.294 10 0 BGAERN C[C@H]1CCc2cc(F)ccc2N1C(=O)C1CCC1 ZINC000005529425 132293016 /nfs/dbraw/zinc/29/30/16/132293016.db2.gz BNELWPQBFNIKKA-JTQLQIEISA-N 0 0 247.313 3.294 10 0 BGAERN O=c1cc(-c2ccc(F)cc2)nc2[nH]cccc1-2 ZINC000005541477 183255562 /nfs/dbraw/zinc/25/55/62/183255562.db2.gz OVYNUIGNLQPXLC-UHFFFAOYSA-N 0 0 240.237 3.142 10 0 BGAERN Cc1cc2ncn([C@@H]3CCCCO3)c2cc1C ZINC000005552964 178304849 /nfs/dbraw/zinc/30/48/49/178304849.db2.gz ASIWCDIGTQZVDE-AWEZNQCLSA-N 0 0 230.311 3.352 10 0 BGAERN CC(=S)Nc1ccc(Br)cc1 ZINC000005566185 343256704 /nfs/dbraw/zinc/25/67/04/343256704.db2.gz NTUJCOHECNHZIH-UHFFFAOYSA-N 0 0 230.130 3.208 10 0 BGAERN C[C@](O)(c1ccc(Br)cc1)C1CC1 ZINC000005572891 177451849 /nfs/dbraw/zinc/45/18/49/177451849.db2.gz AKWHXCFLUPFEEX-LLVKDONJSA-N 0 0 241.128 3.067 10 0 BGAERN CC/C=C\c1cc2ccccc2c(=O)o1 ZINC000005574938 571689644 /nfs/dbraw/zinc/68/96/44/571689644.db2.gz DHKBMMCQVXFEJY-CLTKARDFSA-N 0 0 200.237 3.216 10 0 endogenous,in-man BGAERN CCOC(CCn1ccc2ccccc21)OCC ZINC000005585819 170314696 /nfs/dbraw/zinc/31/46/96/170314696.db2.gz QOYMMAZSYYBLTB-UHFFFAOYSA-N 0 0 247.338 3.431 10 0 BGAERN Nc1cccc(-c2ccc3ccccc3n2)c1 ZINC000005590262 342766710 /nfs/dbraw/zinc/76/67/10/342766710.db2.gz NUCHIWDRSWPCOZ-UHFFFAOYSA-N 0 0 220.275 3.484 10 0 BGAERN CCC(C)(C)c1ccc(OCC(N)=S)cc1 ZINC000005592678 168305015 /nfs/dbraw/zinc/30/50/15/168305015.db2.gz RGMSMKMPOBBKNY-UHFFFAOYSA-N 0 0 237.368 3.039 10 0 BGAERN NC(=S)COc1ccc(-c2ccccc2)cc1 ZINC000005592683 181316769 /nfs/dbraw/zinc/31/67/69/181316769.db2.gz 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CC[C@H](C)C[C@@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000005599248 171296469 /nfs/dbraw/zinc/29/64/69/171296469.db2.gz IEMYFOOOVZNVLE-BBRMVZONSA-N 0 0 247.382 3.402 10 0 BGAERN O=C1C[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000005606806 182778250 /nfs/dbraw/zinc/77/82/50/182778250.db2.gz NVLMRIBWOHMGQY-HNNXBMFYSA-N 0 0 237.302 3.160 10 0 BGAERN CC1=Nc2cc(Cl)cc(Cl)c2NC(=O)C1 ZINC000005645246 168137607 /nfs/dbraw/zinc/13/76/07/168137607.db2.gz HYJGTBQYJCPEIA-UHFFFAOYSA-N 0 0 243.093 3.428 10 0 BGAERN CCCSC(=O)N1CCCCCC1 ZINC000005648399 169334942 /nfs/dbraw/zinc/33/49/42/169334942.db2.gz CCHAJHCNTVMJPW-UHFFFAOYSA-N 0 0 201.335 3.126 10 0 BGAERN CCOC(=O)c1coc(Cc2ccccc2)c1 ZINC000005650690 187247487 /nfs/dbraw/zinc/24/74/87/187247487.db2.gz XEMLEMIOCGLVMR-UHFFFAOYSA-N 0 0 230.263 3.047 10 0 BGAERN CCOC(=S)c1ccc(Cl)cc1 ZINC000005650705 170311897 /nfs/dbraw/zinc/31/18/97/170311897.db2.gz ZSRGLQQAHXRPJC-UHFFFAOYSA-N 0 0 200.690 3.052 10 0 BGAERN COc1cccc(NC(=S)c2ccccc2)c1 ZINC000005658372 369028650 /nfs/dbraw/zinc/02/86/50/369028650.db2.gz GOYIIRLPJQEQGV-UHFFFAOYSA-N 0 0 243.331 3.483 10 0 BGAERN Cc1ccc(-c2nc(N)c3ccccc3n2)cc1 ZINC000005659299 178335835 /nfs/dbraw/zinc/33/58/35/178335835.db2.gz ZJNLTXKRROGJCE-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN O=C(/C=C/c1cccc(Cl)c1)N1CCCCC1 ZINC000005671069 384124716 /nfs/dbraw/zinc/12/47/16/384124716.db2.gz NGVOKKSGNADIOE-BQYQJAHWSA-N 0 0 249.741 3.366 10 0 BGAERN CCc1cc2ccc(OC)cc2[nH]c1=S ZINC000005678095 342768387 /nfs/dbraw/zinc/76/83/87/342768387.db2.gz IEZSIYMAXVYLLM-UHFFFAOYSA-N 0 0 219.309 3.468 10 0 BGAERN Oc1ccccc1Nc1ncnc2sccc21 ZINC000005687530 183303874 /nfs/dbraw/zinc/30/38/74/183303874.db2.gz ZQJWLIFYXVFSAB-UHFFFAOYSA-N 0 0 243.291 3.141 10 0 BGAERN CCCOC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000005708052 169299086 /nfs/dbraw/zinc/29/90/86/169299086.db2.gz SWZGXLUXMKQPQD-UHFFFAOYSA-N 0 0 243.690 3.307 10 0 BGAERN CCCOC(=O)Nc1ccc(OC(C)C)cc1 ZINC000005708054 169298932 /nfs/dbraw/zinc/29/89/32/169298932.db2.gz LYGJMINCMOUNCJ-UHFFFAOYSA-N 0 0 237.299 3.432 10 0 BGAERN C[C@@H](c1cccs1)n1nnc2ccccc21 ZINC000005721831 176033791 /nfs/dbraw/zinc/03/37/91/176033791.db2.gz SVPVOGVKOLMIAL-VIFPVBQESA-N 0 0 229.308 3.102 10 0 BGAERN C[C@H](c1cccs1)n1nnc2ccccc21 ZINC000005723184 177050438 /nfs/dbraw/zinc/05/04/38/177050438.db2.gz SVPVOGVKOLMIAL-SECBINFHSA-N 0 0 229.308 3.102 10 0 BGAERN O=C1C=CC(=CN(O)c2ccc(Cl)cc2)C=C1 ZINC000005731123 397870026 /nfs/dbraw/zinc/87/00/26/397870026.db2.gz JIMRVSODNWGWMT-UHFFFAOYSA-N 0 0 247.681 3.115 10 0 BGAERN C/C(=C\c1ccccc1)C(=O)OC(C)C ZINC000005732748 347186870 /nfs/dbraw/zinc/18/68/70/347186870.db2.gz VJLFJKQJEJZORR-PKNBQFBNSA-N 0 0 204.269 3.042 10 0 BGAERN Cc1nc2cc(N=O)c(N=O)cc2nc1C ZINC000005733508 180081076 /nfs/dbraw/zinc/08/10/76/180081076.db2.gz WDCWYJRTZKTFJI-UHFFFAOYSA-N 0 0 216.200 3.042 10 0 BGAERN C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC=C3CO ZINC000005735744 176237601 /nfs/dbraw/zinc/23/76/01/176237601.db2.gz FUZABTYGEVJEPT-HTUGSXCWSA-N 0 0 220.356 3.387 10 0 BGAERN C[C@@H]1C[C@H](OC(=O)c2cccnc2)CC(C)(C)C1 ZINC000005735849 176429656 /nfs/dbraw/zinc/42/96/56/176429656.db2.gz GQSGZTBDVNUIQS-YPMHNXCESA-N 0 0 247.338 3.453 10 0 BGAERN CCCNC(=O)Nc1ccc(N(CC)CC)cc1 ZINC000005735909 169239802 /nfs/dbraw/zinc/23/98/02/169239802.db2.gz ZXRDWAPDDMXCLQ-UHFFFAOYSA-N 0 0 249.358 3.064 10 0 BGAERN C[C@H]1Oc2ccccc2C(=O)N1c1ccccc1 ZINC000005736004 357367234 /nfs/dbraw/zinc/36/72/34/357367234.db2.gz MCDVSIPUWBFPBI-LLVKDONJSA-N 0 0 239.274 3.072 10 0 BGAERN Cc1ccc(C)c([C@H]2OCCCS2)c1 ZINC000005745022 178503958 /nfs/dbraw/zinc/50/39/58/178503958.db2.gz GQTJJQVWHOPVGE-LBPRGKRZSA-N 0 0 208.326 3.456 10 0 BGAERN C[C@@H]1Oc2ccccc2C(=O)N1c1ccccc1 ZINC000005752220 369029932 /nfs/dbraw/zinc/02/99/32/369029932.db2.gz MCDVSIPUWBFPBI-NSHDSACASA-N 0 0 239.274 3.072 10 0 BGAERN S=c1[nH]c2cnccc2n1-c1ccccc1 ZINC000005757254 183313920 /nfs/dbraw/zinc/31/39/20/183313920.db2.gz SPJLIDIJACVKNA-UHFFFAOYSA-N 0 0 227.292 3.083 10 0 BGAERN CC(C)OC(OC(C)C)(OC(C)C)OC(C)C ZINC000005760835 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BGAERN Cc1ccc(O)c(-c2cc(C)ccc2O)c1 ZINC000006070715 346635406 /nfs/dbraw/zinc/63/54/06/346635406.db2.gz JIONXXHMDHBECT-UHFFFAOYSA-N 0 0 214.264 3.382 10 0 BGAERN Cc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000006070833 342773370 /nfs/dbraw/zinc/77/33/70/342773370.db2.gz MZEBDXPEMDZNHB-UHFFFAOYSA-N 0 0 200.163 3.176 10 0 in-vitro BGAERN Cc1ccc(F)cc1C(=O)c1ccccc1 ZINC000006071189 178684607 /nfs/dbraw/zinc/68/46/07/178684607.db2.gz GNXJPRNYERGDKD-UHFFFAOYSA-N 0 0 214.239 3.365 10 0 BGAERN Cc1cnn(SC(Cl)(Cl)Cl)c1 ZINC000006072074 179744271 /nfs/dbraw/zinc/74/42/71/179744271.db2.gz HAFGIUUKMOFFKM-UHFFFAOYSA-N 0 0 231.535 3.016 10 0 BGAERN Cc1nc2ccc(C(=O)c3ccccc3)cc2o1 ZINC000006072163 180088881 /nfs/dbraw/zinc/08/88/81/180088881.db2.gz OMYCUQIDXCNEHW-UHFFFAOYSA-N 0 0 237.258 3.367 10 0 BGAERN Nc1cc(OC(F)F)c(Cl)cc1Cl ZINC000006091110 342773558 /nfs/dbraw/zinc/77/35/58/342773558.db2.gz YIYYNNXWENNWHM-UHFFFAOYSA-N 0 0 228.025 3.177 10 0 BGAERN Nc1snc2c1cc(Cl)cc2Cl ZINC000006091312 386495549 /nfs/dbraw/zinc/49/55/49/386495549.db2.gz SPYCJKMYYZZDMN-UHFFFAOYSA-N 0 0 219.096 3.185 10 0 BGAERN O=c1ccc2ccc(-c3ccc(O)cc3)oc-2c1 ZINC000006093398 183001136 /nfs/dbraw/zinc/00/11/36/183001136.db2.gz DQKOJTJVZKIZLI-UHFFFAOYSA-N 0 0 238.242 3.117 10 0 BGAERN c1coc(C2OCC3(CC=CCC3)CO2)c1 ZINC000006093497 187465227 /nfs/dbraw/zinc/46/52/27/187465227.db2.gz ODVKSTFPQDVPJZ-UHFFFAOYSA-N 0 0 220.268 3.052 10 0 BGAERN O=C(CCc1ccccc1O)c1ccccc1 ZINC000006095748 355860268 /nfs/dbraw/zinc/86/02/68/355860268.db2.gz QYBJSUYYMXLWIU-UHFFFAOYSA-N 0 0 226.275 3.208 10 0 BGAERN c1ccc(CCOCc2ccccc2)cc1 ZINC000006096212 183394541 /nfs/dbraw/zinc/39/45/41/183394541.db2.gz MTWBNQBGOBEJKB-UHFFFAOYSA-N 0 0 212.292 3.446 10 0 BGAERN O=[P@@]1(c2ccccc2)OCc2ccccc2O1 ZINC000006116573 182961698 /nfs/dbraw/zinc/96/16/98/182961698.db2.gz IVVGLHFVBDTRKX-KRWDZBQOSA-N 0 0 246.202 3.114 10 0 BGAERN c1ccc(-c2nc3n(n2)CCc2ccccc2-3)cc1 ZINC000006116814 183383866 /nfs/dbraw/zinc/38/38/66/183383866.db2.gz JYELTQXYQDVIIM-UHFFFAOYSA-N 0 0 247.301 3.168 10 0 BGAERN c1ccc2c(c1)[nH]c1c2CCN2CCCC[C@H]12 ZINC000006117806 398281087 /nfs/dbraw/zinc/28/10/87/398281087.db2.gz OURDZMSSMGUMKR-CQSZACIVSA-N 0 0 226.323 3.251 10 0 BGAERN [O-]c1csc2ccc3ccccc3c12 ZINC000006118331 342773783 /nfs/dbraw/zinc/77/37/83/342773783.db2.gz KLRNDFGOYWAXOU-UHFFFAOYSA-N 0 0 200.262 3.128 10 0 BGAERN CCc1cccc(C)c1NC(=O)c1ccccn1 ZINC000006152510 171853743 /nfs/dbraw/zinc/85/37/43/171853743.db2.gz VHIMIZGELRECOW-UHFFFAOYSA-N 0 0 240.306 3.205 10 0 BGAERN CC(=O)c1ccc(-c2ccc(C=O)cc2)s1 ZINC000006159110 384144909 /nfs/dbraw/zinc/14/49/09/384144909.db2.gz ZBMRMJDKZHKXLQ-UHFFFAOYSA-N 0 0 230.288 3.430 10 0 BGAERN CC(=O)c1ccc(-c2cccc(C=O)c2)s1 ZINC000006159116 537876868 /nfs/dbraw/zinc/87/68/68/537876868.db2.gz POKIIQSTEBGDSP-UHFFFAOYSA-N 0 0 230.288 3.430 10 0 BGAERN C[C@]1(Cc2ccccc2)CCCCC1=O ZINC000006201563 177465431 /nfs/dbraw/zinc/46/54/31/177465431.db2.gz JHMRHFGOPQLVBP-CQSZACIVSA-N 0 0 202.297 3.379 10 0 BGAERN C[C@H](NC(=O)c1ccc(F)cc1)c1cccs1 ZINC000006220427 176817860 /nfs/dbraw/zinc/81/78/60/176817860.db2.gz QGVJVOMCMITTGH-VIFPVBQESA-N 0 0 249.310 3.378 10 0 BGAERN C[C@@H](NC(=O)c1ccc(F)cc1)c1cccs1 ZINC000006220429 518178050 /nfs/dbraw/zinc/17/80/50/518178050.db2.gz QGVJVOMCMITTGH-SECBINFHSA-N 0 0 249.310 3.378 10 0 BGAERN O=C(c1cccs1)c1ccc(F)c(F)c1 ZINC000006222069 342775231 /nfs/dbraw/zinc/77/52/31/342775231.db2.gz FFZVNFGTOCQGQJ-UHFFFAOYSA-N 0 0 224.231 3.257 10 0 BGAERN CC[C@@H](C)NC(=O)/C(C)=C\c1ccccc1 ZINC000006223993 357194340 /nfs/dbraw/zinc/19/43/40/357194340.db2.gz NWTHMGHXOVURRV-NLYDNYMLSA-N 0 0 217.312 3.005 10 0 BGAERN CCc1cccc2c(C=O)cn(CC)c21 ZINC000006225848 398195053 /nfs/dbraw/zinc/19/50/53/398195053.db2.gz LQUBFUVEZYNWMT-UHFFFAOYSA-N 0 0 201.269 3.036 10 0 BGAERN O=C1O/C(=C2/C=Nc3ccccc32)c2ccccc21 ZINC000006243113 182826894 /nfs/dbraw/zinc/82/68/94/182826894.db2.gz VKVVXMFXSBLRGZ-SQFISAMPSA-N 0 0 247.253 3.441 10 0 BGAERN c1ccc2c(c1)N[C@@H]1C=CC=C[C@H]1S2 ZINC000006258072 190976387 /nfs/dbraw/zinc/97/63/87/190976387.db2.gz XYBUNINDJPDVKM-MWLCHTKSSA-N 0 0 201.294 3.067 10 0 BGAERN c1ccc2c(c1)N[C@H]1C=CC=C[C@H]1S2 ZINC000006258074 187248578 /nfs/dbraw/zinc/24/85/78/187248578.db2.gz XYBUNINDJPDVKM-GXSJLCMTSA-N 0 0 201.294 3.067 10 0 BGAERN CC(=O)c1ccccc1-c1nc2ccccc2[nH]1 ZINC000006262518 342775466 /nfs/dbraw/zinc/77/54/66/342775466.db2.gz FDQJXCVWPDHUCT-UHFFFAOYSA-N 0 0 236.274 3.433 10 0 BGAERN CCCO[P@@]1(=O)COc2ccccc2O1 ZINC000006274204 169313284 /nfs/dbraw/zinc/31/32/84/169313284.db2.gz DZESKJKXULIOQK-HNNXBMFYSA-N 0 0 228.184 3.035 10 0 BGAERN CCCO[P@]1(=O)COc2ccccc2O1 ZINC000006274205 169313066 /nfs/dbraw/zinc/31/30/66/169313066.db2.gz DZESKJKXULIOQK-OAHLLOKOSA-N 0 0 228.184 3.035 10 0 BGAERN C/C(=C\c1ccccc1)C(=O)N1CCCCC1 ZINC000006301385 357255227 /nfs/dbraw/zinc/25/52/27/357255227.db2.gz VHKRGAWQNPZMFO-OUKQBFOZSA-N 0 0 229.323 3.102 10 0 BGAERN COc1ccc2c(c1CC=C(C)C)OC(=O)CC2 ZINC000006303910 175220747 /nfs/dbraw/zinc/22/07/47/175220747.db2.gz HDCUYVWVMGOCTK-UHFFFAOYSA-N 0 0 246.306 3.056 10 0 BGAERN C/C(=C/c1ccccc1)C(=O)NCCC(C)C ZINC000006305781 188103021 /nfs/dbraw/zinc/10/30/21/188103021.db2.gz PTNJPLIAXZFVPE-QBFSEMIESA-N 0 0 231.339 3.252 10 0 BGAERN O=C1C[C@H]2C=C(c3ccccc3)C[C@@H](C1)C2 ZINC000006338245 346648841 /nfs/dbraw/zinc/64/88/41/346648841.db2.gz FKJVALJQXHOHMN-NEPJUHHUSA-N 0 0 212.292 3.459 10 0 BGAERN O=C(SCc1ccccc1)c1ccco1 ZINC000006344315 182611741 /nfs/dbraw/zinc/61/17/41/182611741.db2.gz CGSSMUWNFHQHCD-UHFFFAOYSA-N 0 0 218.277 3.353 10 0 BGAERN CCN1c2ccccc2Oc2ccccc2C1=O ZINC000006385234 369047207 /nfs/dbraw/zinc/04/72/07/369047207.db2.gz MRBRHCRUXKHKKI-UHFFFAOYSA-N 0 0 239.274 3.459 10 0 in-vivo BGAERN CC[C@H](C)NC(=O)/C(C)=C\c1ccccc1 ZINC000006394593 171320367 /nfs/dbraw/zinc/32/03/67/171320367.db2.gz NWTHMGHXOVURRV-WEHUKYGOSA-N 0 0 217.312 3.005 10 0 BGAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccccc1F ZINC000006435847 177136446 /nfs/dbraw/zinc/13/64/46/177136446.db2.gz QTZCKKMTHPPWKS-WDMOLILDSA-N 0 0 249.329 3.380 10 0 BGAERN C[C@H]1[C@H](NC(=O)c2ccccc2F)CCC[C@@H]1C ZINC000006435851 177122685 /nfs/dbraw/zinc/12/26/85/177122685.db2.gz QTZCKKMTHPPWKS-MISXGVKJSA-N 0 0 249.329 3.380 10 0 BGAERN C/C(=C\c1ccccc1)C(=O)N1CCCC[C@H]1C ZINC000006470982 187758554 /nfs/dbraw/zinc/75/85/54/187758554.db2.gz HVBCSEFUAPAVLB-XTZCOPOCSA-N 0 0 243.350 3.491 10 0 BGAERN C/C(=C\c1ccccc1)C(=O)N1CCCC[C@@H]1C ZINC000006471387 187248649 /nfs/dbraw/zinc/24/86/49/187248649.db2.gz HVBCSEFUAPAVLB-FNDVETGQSA-N 0 0 243.350 3.491 10 0 BGAERN Cc1cc(N)n([C@@H](C)c2ccc(Cl)cc2)n1 ZINC000006477787 187929641 /nfs/dbraw/zinc/92/96/41/187929641.db2.gz YKFGBFGYTVBCEH-VIFPVBQESA-N 0 0 235.718 3.036 10 0 BGAERN Cc1cc(N)n([C@H](C)c2ccc(Cl)cc2)n1 ZINC000006477795 188103296 /nfs/dbraw/zinc/10/32/96/188103296.db2.gz YKFGBFGYTVBCEH-SECBINFHSA-N 0 0 235.718 3.036 10 0 BGAERN CN1c2ccccc2Oc2ccccc2C1=O ZINC000006481616 342688880 /nfs/dbraw/zinc/68/88/80/342688880.db2.gz WMCRMMMOZIJLNG-UHFFFAOYSA-N 0 0 225.247 3.069 10 0 BGAERN COC(=O)[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000006487710 342778575 /nfs/dbraw/zinc/77/85/75/342778575.db2.gz SLHUVOQYDHUKNY-OAHLLOKOSA-N 0 0 240.302 3.300 10 0 BGAERN Cc1cc(Nc2ncc(Cl)cc2Cl)n[nH]1 ZINC000006498535 178193377 /nfs/dbraw/zinc/19/33/77/178193377.db2.gz REQVOWJLAZWGNX-UHFFFAOYSA-N 0 0 243.097 3.164 10 0 BGAERN O[C@H](c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000006513487 183229643 /nfs/dbraw/zinc/22/96/43/183229643.db2.gz HXQXONCRLXQTFV-AWEZNQCLSA-N 0 0 234.295 3.029 10 0 BGAERN Cc1cc(NN)c2c(Cl)cc(Cl)cc2n1 ZINC000006521885 178176674 /nfs/dbraw/zinc/17/66/74/178176674.db2.gz VALGWFVYIAYDOQ-UHFFFAOYSA-N 0 0 242.109 3.136 10 0 BGAERN Cc1cc2nc(NN=O)sc2cc1C ZINC000006522188 178301142 /nfs/dbraw/zinc/30/11/42/178301142.db2.gz BVKBYHNSEMNNCC-UHFFFAOYSA-N 0 0 207.258 3.006 10 0 BGAERN Cc1ccc2c(c1)Oc1ccccc1C(=O)N2C ZINC000006522951 178948496 /nfs/dbraw/zinc/94/84/96/178948496.db2.gz CVDPIRBJDQEVMC-UHFFFAOYSA-N 0 0 239.274 3.377 10 0 BGAERN Cc1cccc2c1N(C)C(=O)c1ccccc1O2 ZINC000006523176 179218252 /nfs/dbraw/zinc/21/82/52/179218252.db2.gz KHEPCPQACWFUGX-UHFFFAOYSA-N 0 0 239.274 3.377 10 0 BGAERN [O-]c1c(Cl)ccc2cc(Cl)cnc12 ZINC000006525027 188097090 /nfs/dbraw/zinc/09/70/90/188097090.db2.gz RFJJQNPTZCMYRX-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN Oc1ccc(Cl)c2c(Cl)ccnc12 ZINC000006525337 183272399 /nfs/dbraw/zinc/27/23/99/183272399.db2.gz PBAMBOGVKVVQCN-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN Oc1ccc(Cl)c2ccc(Cl)nc12 ZINC000006536576 183272203 /nfs/dbraw/zinc/27/22/03/183272203.db2.gz QZWOMXOWXIOAOI-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN CC[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000006554940 360082836 /nfs/dbraw/zinc/08/28/36/360082836.db2.gz WNNRIWPRGXNMIC-JTQLQIEISA-N 0 0 218.218 3.019 10 0 BGAERN CC[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000006555364 360083025 /nfs/dbraw/zinc/08/30/25/360083025.db2.gz WNNRIWPRGXNMIC-SNVBAGLBSA-N 0 0 218.218 3.019 10 0 BGAERN O=[S@@]1c2ccccc2SN1c1ccccc1 ZINC000006581215 182968322 /nfs/dbraw/zinc/96/83/22/182968322.db2.gz DWQZYPZKKCEIPM-INIZCTEOSA-N 0 0 247.344 3.237 10 0 BGAERN O=c1oc(-c2ccccc2)cc2cccc(O)c21 ZINC000006582571 183011985 /nfs/dbraw/zinc/01/19/85/183011985.db2.gz WDSXRDGRRIEXIA-UHFFFAOYSA-N 0 0 238.242 3.166 10 0 BGAERN c1ccn(Nc2ccc(Nn3cccc3)cc2)c1 ZINC000006584577 387593557 /nfs/dbraw/zinc/59/35/57/387593557.db2.gz PIWPJSDQCKMNLG-UHFFFAOYSA-N 0 0 238.294 3.040 10 0 BGAERN Cn1c(Cl)nc2ncc(-c3ccccc3)cc21 ZINC000006614930 180620728 /nfs/dbraw/zinc/62/07/28/180620728.db2.gz FBFVKWMIRFROSV-UHFFFAOYSA-N 0 0 243.697 3.289 10 0 in-vitro BGAERN O=C(Cc1ccc2ccccc2n1)c1ccncc1 ZINC000006616471 182038225 /nfs/dbraw/zinc/03/82/25/182038225.db2.gz NUGHZRHFTBHNBR-UHFFFAOYSA-N 0 0 248.285 3.055 10 0 BGAERN CCc1nnc(Cl)cc1-c1ccccc1 ZINC000006664445 360555997 /nfs/dbraw/zinc/55/59/97/360555997.db2.gz JJBGBGSYTKSCJU-UHFFFAOYSA-N 0 0 218.687 3.359 10 0 BGAERN CC[C@@H]1CCc2c(sc3nc(C)oc(=O)c23)C1 ZINC000006706971 171060346 /nfs/dbraw/zinc/06/03/46/171060346.db2.gz PIEGPSHXAGTOLF-MRVPVSSYSA-N 0 0 249.335 3.073 10 0 BGAERN CC[C@H]1CCc2c(sc3nc(C)oc(=O)c23)C1 ZINC000006707718 171648812 /nfs/dbraw/zinc/64/88/12/171648812.db2.gz PIEGPSHXAGTOLF-QMMMGPOBSA-N 0 0 249.335 3.073 10 0 BGAERN O[C@H](c1ccc(Cl)s1)c1ccccc1 ZINC000006737690 183185536 /nfs/dbraw/zinc/18/55/36/183185536.db2.gz WAVBCPLCWWZABW-NSHDSACASA-N 0 0 224.712 3.483 10 0 BGAERN O[C@@H](c1ccc(Cl)s1)c1ccccc1 ZINC000006737691 183229309 /nfs/dbraw/zinc/22/93/09/183229309.db2.gz WAVBCPLCWWZABW-LLVKDONJSA-N 0 0 224.712 3.483 10 0 BGAERN NC(=S)Nc1cccc(-c2ccccc2)c1 ZINC000006744425 181319283 /nfs/dbraw/zinc/31/92/83/181319283.db2.gz ZYUGKPCKYSSZRA-UHFFFAOYSA-N 0 0 228.320 3.009 10 0 BGAERN CCn1c(C(=O)OC)cc2sc(Cl)cc21 ZINC000006750310 172133863 /nfs/dbraw/zinc/13/38/63/172133863.db2.gz IAMFLNLGEWONCS-UHFFFAOYSA-N 0 0 243.715 3.163 10 0 BGAERN CCc1n[nH]c(=S)c2cc3sccc3n21 ZINC000006750372 360718416 /nfs/dbraw/zinc/71/84/16/360718416.db2.gz CSOHJODNQRZMAZ-UHFFFAOYSA-N 0 0 235.337 3.169 10 0 BGAERN O=C1CC2(CCCCCC2)Oc2ccc(O)cc21 ZINC000006751169 182720821 /nfs/dbraw/zinc/72/08/21/182720821.db2.gz GOAUPLZRIIZNFJ-UHFFFAOYSA-N 0 0 246.306 3.450 10 0 BGAERN c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 ZINC000006752345 183408428 /nfs/dbraw/zinc/40/84/28/183408428.db2.gz LELSFAKXRRPWQZ-UHFFFAOYSA-N 0 0 241.319 3.250 10 0 BGAERN Cc1ccc(-c2csc(N)n2)cc1Cl ZINC000006755349 178330640 /nfs/dbraw/zinc/33/06/40/178330640.db2.gz WLDFFDVRNJNWPK-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN O=Cc1ccc(-c2cnc3ccccc3c2)o1 ZINC000006757482 592727267 /nfs/dbraw/zinc/72/72/67/592727267.db2.gz XCHDPEWNEFVDKE-UHFFFAOYSA-N 0 0 223.231 3.307 10 0 BGAERN CCOc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000006784186 342783139 /nfs/dbraw/zinc/78/31/39/342783139.db2.gz DOHRGJDYYQWTAN-UHFFFAOYSA-N 0 0 239.278 3.024 10 0 BGAERN COC(=O)c1ccc(-c2cccs2)s1 ZINC000006792942 536597587 /nfs/dbraw/zinc/59/75/87/536597587.db2.gz ZEWBIVSELARSHB-UHFFFAOYSA-N 0 0 224.306 3.263 10 0 BGAERN Clc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000006813625 345926715 /nfs/dbraw/zinc/92/67/15/345926715.db2.gz VYLYRJBQIPOPRK-UHFFFAOYSA-N 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COc1cccc(-c2cn3c(C)csc3n2)c1 ZINC000011991132 175235221 /nfs/dbraw/zinc/23/52/21/175235221.db2.gz LIDPBKZLRKODSS-UHFFFAOYSA-N 0 0 244.319 3.380 10 0 BGAERN Cc1ccc(Oc2ccc(C(N)=S)cc2)cc1 ZINC000011993511 178819797 /nfs/dbraw/zinc/81/97/97/178819797.db2.gz JMKGCZAFYXQTMB-UHFFFAOYSA-N 0 0 243.331 3.422 10 0 BGAERN CC(C)Cc1ccc([C@@H](C)C(=O)NC2CC2)cc1 ZINC000012026935 538841339 /nfs/dbraw/zinc/84/13/39/538841339.db2.gz PFOKWLCDFPTYGY-GFCCVEGCSA-N 0 0 245.366 3.267 10 0 BGAERN C/C=C/C=C\CC/C=C/C(=O)NCC(C)C ZINC000012153602 188340982 /nfs/dbraw/zinc/34/09/82/188340982.db2.gz BXOCHUWSGYYSFW-HVWOQQCMSA-N 0 0 221.344 3.227 10 0 BGAERN Cc1nccc2c3ccc(F)cc3[nH]c21 ZINC000012354759 180208775 /nfs/dbraw/zinc/20/87/75/180208775.db2.gz DCEHWOIKAQDZGV-UHFFFAOYSA-N 0 0 200.216 3.164 10 0 BGAERN c1c(-c2ccc3c(c2)OCO3)cn2c1CCCC2 ZINC000012357063 183367130 /nfs/dbraw/zinc/36/71/30/183367130.db2.gz YXALXTKYNDKBCV-UHFFFAOYSA-N 0 0 241.290 3.220 10 0 BGAERN Fc1ccc(-c2c[nH]nc2-c2ccccn2)cc1 ZINC000012365461 343049053 /nfs/dbraw/zinc/04/90/53/343049053.db2.gz MIBKGMRDJGUXKQ-UHFFFAOYSA-N 0 0 239.253 3.278 10 0 BGAERN Cc1ccc(/C=C/C(=O)C(F)(F)F)cc1 ZINC000012404785 346898682 /nfs/dbraw/zinc/89/86/82/346898682.db2.gz AFQXILVHSUYOPK-VOTSOKGWSA-N 0 0 214.186 3.140 10 0 BGAERN Clc1cccc(C=Cc2cc[nH]n2)c1 ZINC000012428693 350684661 /nfs/dbraw/zinc/68/46/61/350684661.db2.gz MVIUKGUHMCJJKW-SNAWJCMRSA-N 0 0 204.660 3.234 10 0 BGAERN O=Cc1cc2cc(Cl)c(Cl)cc2[nH]1 ZINC000012506052 182864738 /nfs/dbraw/zinc/86/47/38/182864738.db2.gz QRJWIYNNJOIYIQ-UHFFFAOYSA-N 0 0 214.051 3.287 10 0 BGAERN Cc1nc(-c2ccccc2)nc(Cl)c1F ZINC000012506153 384322386 /nfs/dbraw/zinc/32/23/86/384322386.db2.gz APDNYMRZTXQKOT-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN CCCOc1ccc([C@H](C)O)cc1OCCC ZINC000012506416 169322293 /nfs/dbraw/zinc/32/22/93/169322293.db2.gz ICMRBCZSCBRLPF-NSHDSACASA-N 0 0 238.327 3.318 10 0 BGAERN CCCOc1ccc([C@@H](C)O)cc1OCCC ZINC000012506418 169320809 /nfs/dbraw/zinc/32/08/09/169320809.db2.gz ICMRBCZSCBRLPF-LLVKDONJSA-N 0 0 238.327 3.318 10 0 BGAERN C[C@H](O)c1ccc(N2CCCCCC2)cc1 ZINC000012506452 177017055 /nfs/dbraw/zinc/01/70/55/177017055.db2.gz ZHXXYKCOAAVASV-LBPRGKRZSA-N 0 0 219.328 3.120 10 0 BGAERN C[C@@H](O)c1ccc(N2CCCCCC2)cc1 ZINC000012506454 175999326 /nfs/dbraw/zinc/99/93/26/175999326.db2.gz ZHXXYKCOAAVASV-GFCCVEGCSA-N 0 0 219.328 3.120 10 0 BGAERN C[C@H](O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012506494 177016583 /nfs/dbraw/zinc/01/65/83/177016583.db2.gz CXJSBDJEFFPWRT-NSHDSACASA-N 0 0 238.290 3.079 10 0 BGAERN C[C@@H](O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000012506495 342852930 /nfs/dbraw/zinc/85/29/30/342852930.db2.gz CXJSBDJEFFPWRT-LLVKDONJSA-N 0 0 238.290 3.079 10 0 BGAERN Cc1ccccc1/C=C1\c2ccccc2NC1=O ZINC000012621700 179244227 /nfs/dbraw/zinc/24/42/27/179244227.db2.gz BZVILFCAVPKXMY-GXDHUFHOSA-N 0 0 235.286 3.488 10 0 BGAERN C=CC(=O)Nc1c(Cl)cccc1Cl ZINC000012865327 219811829 /nfs/dbraw/zinc/81/18/29/219811829.db2.gz CJLLWSBURLHHJY-UHFFFAOYSA-N 0 0 216.067 3.118 10 0 BGAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)N1CCCCCC1 ZINC000012912384 182022867 /nfs/dbraw/zinc/02/28/67/182022867.db2.gz RCWZCMMSSYYBPB-MJBXVCDLSA-N 0 0 235.371 3.215 10 0 BGAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCCCCC1 ZINC000012912389 182030788 /nfs/dbraw/zinc/03/07/88/182030788.db2.gz RCWZCMMSSYYBPB-BFHYXJOUSA-N 0 0 235.371 3.215 10 0 BGAERN Cc1ccc(Cl)c(-c2csc(N)n2)c1 ZINC000012931657 187250641 /nfs/dbraw/zinc/25/06/41/187250641.db2.gz MENFLFIFZRPOHA-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccsc1 ZINC000012944364 177082250 /nfs/dbraw/zinc/08/22/50/177082250.db2.gz XETMPPVZWPYBRF-XTYWZOAOSA-N 0 0 249.379 3.456 10 0 BGAERN C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1ccsc1 ZINC000012944370 177086675 /nfs/dbraw/zinc/08/66/75/177086675.db2.gz XETMPPVZWPYBRF-YRDGOHCCSA-N 0 0 249.379 3.456 10 0 BGAERN COc1ccc(Cl)c2ccc(C)nc12 ZINC000012971104 175119893 /nfs/dbraw/zinc/11/98/93/175119893.db2.gz YQKBHHPLJAOMQR-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN c1nc2cc(Cc3ccc4[nH]cnc4c3)ccc2[nH]1 ZINC000013119463 343070572 /nfs/dbraw/zinc/07/05/72/343070572.db2.gz BVYLJPFJEXGWNK-UHFFFAOYSA-N 0 0 248.289 3.030 10 0 BGAERN CCCCn1c(C)cs/c1=N\c1cccnc1 ZINC000013136533 169033553 /nfs/dbraw/zinc/03/35/53/169033553.db2.gz HYUBOBHEJIXRQE-SQFISAMPSA-N 0 0 247.367 3.286 10 0 BGAERN CCOc1cc2c3c(c(C)cc2cn1)CCC3=O ZINC000013207926 343073122 /nfs/dbraw/zinc/07/31/22/343073122.db2.gz OSNFRMQJSNVCNP-UHFFFAOYSA-N 0 0 241.290 3.071 10 0 BGAERN c1cncc(-c2ccnc(-c3cccnc3)c2)c1 ZINC000013208892 398088421 /nfs/dbraw/zinc/08/84/21/398088421.db2.gz OILSPHJMIPYURT-UHFFFAOYSA-N 0 0 233.274 3.206 10 0 in-vitro BGAERN CCCCOc1ccc(-c2cn(C)cn2)cc1 ZINC000013209311 168916802 /nfs/dbraw/zinc/91/68/02/168916802.db2.gz UDYOESZQPUPWDB-UHFFFAOYSA-N 0 0 230.311 3.266 10 0 BGAERN CCCCn1cnc(-c2ccc(O)cc2)c1 ZINC000013209313 169036450 /nfs/dbraw/zinc/03/64/50/169036450.db2.gz WYLMHEXTYHPVRI-UHFFFAOYSA-N 0 0 216.284 3.056 10 0 BGAERN CCCCn1cnc(-c2ccc(OC)cc2)c1 ZINC000013209314 169037299 /nfs/dbraw/zinc/03/72/99/169037299.db2.gz MBDUOISGXSZUGF-UHFFFAOYSA-N 0 0 230.311 3.359 10 0 BGAERN CC[C@@H](C)c1ccc(C(=O)Cn2ccnc2)cc1 ZINC000013209416 343073037 /nfs/dbraw/zinc/07/30/37/343073037.db2.gz OOXCESFTNOWERX-GFCCVEGCSA-N 0 0 242.322 3.280 10 0 BGAERN CC[C@H](C)c1ccc(C(=O)Cn2ccnc2)cc1 ZINC000013209420 359725196 /nfs/dbraw/zinc/72/51/96/359725196.db2.gz OOXCESFTNOWERX-LBPRGKRZSA-N 0 0 242.322 3.280 10 0 BGAERN CCc1cccc(-c2nc3ccccc3[nH]2)n1 ZINC000013209426 384349977 /nfs/dbraw/zinc/34/99/77/384349977.db2.gz HRWCQYQJWVFCLC-UHFFFAOYSA-N 0 0 223.279 3.187 10 0 BGAERN Cc1nc2ccc(Cl)cc2c2c1CCO2 ZINC000013216479 180091642 /nfs/dbraw/zinc/09/16/42/180091642.db2.gz KGUGXKPDOPTYLQ-UHFFFAOYSA-N 0 0 219.671 3.132 10 0 BGAERN Oc1ccc(CCc2nc3ccccc3[nH]2)cc1 ZINC000013219159 183268645 /nfs/dbraw/zinc/26/86/45/183268645.db2.gz JUMIUJFTGUYSDM-UHFFFAOYSA-N 0 0 238.290 3.054 10 0 BGAERN CCCc1ccc(OC)c(-c2csc(N)n2)c1 ZINC000013223411 343073664 /nfs/dbraw/zinc/07/36/64/343073664.db2.gz GSTDFAJWEYYTLQ-UHFFFAOYSA-N 0 0 248.351 3.353 10 0 BGAERN CCc1ccc(CC(=O)c2ccccc2)nc1 ZINC000013282996 171789867 /nfs/dbraw/zinc/78/98/67/171789867.db2.gz JPVMFUBICIHAON-UHFFFAOYSA-N 0 0 225.291 3.069 10 0 BGAERN COc1cc(C(C)=O)cc2c1OC(C)(C)C=C2 ZINC000013306407 560103390 /nfs/dbraw/zinc/10/33/90/560103390.db2.gz UZSIRLFMNAGZAL-UHFFFAOYSA-N 0 0 232.279 3.082 10 0 biogenic BGAERN COc1cccc2cc(C)c(C(C)=O)c(O)c21 ZINC000013306812 175306517 /nfs/dbraw/zinc/30/65/17/175306517.db2.gz VSFUBAXYDFGXOP-UHFFFAOYSA-N 0 0 230.263 3.065 10 0 BGAERN Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)CC2 ZINC000013321964 342865754 /nfs/dbraw/zinc/86/57/54/342865754.db2.gz YFLAFNQHWRFTGP-AWEZNQCLSA-N 0 0 242.274 3.164 10 0 BGAERN Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2 ZINC000013321966 188279945 /nfs/dbraw/zinc/27/99/45/188279945.db2.gz YFLAFNQHWRFTGP-CQSZACIVSA-N 0 0 242.274 3.164 10 0 BGAERN COc1cc(O)cc(/C=C/c2cccc(O)c2)c1 ZINC000013340923 175005492 /nfs/dbraw/zinc/00/54/92/175005492.db2.gz VANIIUGEHGLNHB-AATRIKPKSA-N 0 0 242.274 3.277 10 0 BGAERN COc1ccc(/C=C\c2cc(O)cc(O)c2)cc1 ZINC000013341012 175048932 /nfs/dbraw/zinc/04/89/32/175048932.db2.gz IHVRWFJGOIWMGC-IHWYPQMZSA-N 0 0 242.274 3.277 10 0 BGAERN Cc1cc2cc(=O)cc3oc(C)cc(o1)c23 ZINC000013360230 178294717 /nfs/dbraw/zinc/29/47/17/178294717.db2.gz XMBHPPIZLUISDL-UHFFFAOYSA-N 0 0 214.220 3.156 10 0 BGAERN Nc1ccccc1C(=O)c1cccc(Cl)c1 ZINC000013367319 342866245 /nfs/dbraw/zinc/86/62/45/342866245.db2.gz COMTXRHVBLIIOW-UHFFFAOYSA-N 0 0 231.682 3.153 10 0 BGAERN COc1c2ccccc2[nH]c(=O)c1CC=C(C)C ZINC000013374008 344418877 /nfs/dbraw/zinc/41/88/77/344418877.db2.gz SPIWINZXMDJUPE-UHFFFAOYSA-N 0 0 243.306 3.045 10 0 BGAERN c1ccc(COc2nc3ccccc3o2)cc1 ZINC000013376305 183407729 /nfs/dbraw/zinc/40/77/29/183407729.db2.gz ULPQFXOVPALHSY-UHFFFAOYSA-N 0 0 225.247 3.407 10 0 BGAERN COc1cc(O)cc(-c2ccccc2)c1 ZINC000013377036 175005828 /nfs/dbraw/zinc/00/58/28/175005828.db2.gz MFGGGJCBWVBPEO-UHFFFAOYSA-N 0 0 200.237 3.068 10 0 BGAERN COc1cc(OC)cc(-c2ccccc2)c1 ZINC000013377037 358433210 /nfs/dbraw/zinc/43/32/10/358433210.db2.gz CQWCDYBZNSNECQ-UHFFFAOYSA-N 0 0 214.264 3.371 10 0 BGAERN COc1cc(OC)cc(-c2ccc(O)cc2)c1 ZINC000013377097 188106061 /nfs/dbraw/zinc/10/60/61/188106061.db2.gz XVRLLKKLNLKAHR-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 biogenic,in-vitro BGAERN CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@@H](O)C1 ZINC000013377210 574413228 /nfs/dbraw/zinc/41/32/28/574413228.db2.gz YRFJMOGROZTYPC-XGUBFFRZSA-N 0 0 238.371 3.057 10 0 endogenous,in-man BGAERN CC/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000013380193 362232823 /nfs/dbraw/zinc/23/28/23/362232823.db2.gz PEZTZYDIWRNLIK-VOTSOKGWSA-N 0 0 222.284 3.136 10 0 BGAERN CCCCc1c(O)cc(CCC)cc1O ZINC000013380575 169017928 /nfs/dbraw/zinc/01/79/28/169017928.db2.gz AIEOKRDVEYLFHJ-UHFFFAOYSA-N 0 0 208.301 3.393 10 0 BGAERN c1c[nH]c(Cc2cccc3ccccc32)n1 ZINC000013450506 384845187 /nfs/dbraw/zinc/84/51/87/384845187.db2.gz SWDBYQPERYMOIS-UHFFFAOYSA-N 0 0 208.264 3.154 10 0 BGAERN Oc1ccc2c(c1)C[C@H](CCc1ccccc1)O2 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/nfs/dbraw/zinc/84/59/06/384845906.db2.gz UBHIVYHRXXCNJV-UHFFFAOYSA-N 0 0 224.307 3.366 10 0 BGAERN c1ccc2c(c1)cncc2N1C2CCC1CC2 ZINC000013474766 183438536 /nfs/dbraw/zinc/43/85/36/183438536.db2.gz CFAXKSFMHNBHRL-UHFFFAOYSA-N 0 0 224.307 3.366 10 0 BGAERN Clc1cc2c(cn1)[nH]c1ccccc12 ZINC000013490714 180576271 /nfs/dbraw/zinc/57/62/71/180576271.db2.gz JDYLMOJCIKYTGV-UHFFFAOYSA-N 0 0 202.644 3.370 10 0 BGAERN Cc1ccc2oc(-c3cccnc3)cc(=O)c2c1 ZINC000013491216 343090490 /nfs/dbraw/zinc/09/04/90/343090490.db2.gz KPZRGUDQIYLPKX-UHFFFAOYSA-N 0 0 237.258 3.163 10 0 in-vivo BGAERN O=C1NCc2c(-c3ccccc3)[nH]c3cccc1c32 ZINC000013491969 384848788 /nfs/dbraw/zinc/84/87/88/384848788.db2.gz IYQQQOPMPOKHBL-UHFFFAOYSA-N 0 0 248.285 3.078 10 0 BGAERN CC(C)=CCc1cc(O)c(C)c(C)c1O ZINC000013509049 560217870 /nfs/dbraw/zinc/21/78/70/560217870.db2.gz WKFUDLTXRQQGHB-UHFFFAOYSA-N 0 0 206.285 3.223 10 0 in-vitro BGAERN Nc1ccc(-c2nc3ccc(O)cc3s2)cc1 ZINC000013522696 342867274 /nfs/dbraw/zinc/86/72/74/342867274.db2.gz 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CCCCOc1ccc(-c2cnccn2)cc1 ZINC000013530201 343091119 /nfs/dbraw/zinc/09/11/19/343091119.db2.gz CWDVFUCLYPBQNG-UHFFFAOYSA-N 0 0 228.295 3.323 10 0 BGAERN CCCCOc1ccc(-c2ccncn2)cc1 ZINC000013530204 343091282 /nfs/dbraw/zinc/09/12/82/343091282.db2.gz RWCVRTQNDKYRGG-UHFFFAOYSA-N 0 0 228.295 3.323 10 0 BGAERN CCCCOc1ccc(-c2ccnn2C)cc1 ZINC000013530224 343091369 /nfs/dbraw/zinc/09/13/69/343091369.db2.gz DWBVBONATVNRGC-UHFFFAOYSA-N 0 0 230.311 3.266 10 0 BGAERN CCCCOc1ccc(-c2ccn(C)n2)cc1 ZINC000013530227 343091085 /nfs/dbraw/zinc/09/10/85/343091085.db2.gz VMKNDIQDOBATQU-UHFFFAOYSA-N 0 0 230.311 3.266 10 0 BGAERN Fc1ccc2c(c1)CC/C2=C\c1cncnc1 ZINC000013535842 343092086 /nfs/dbraw/zinc/09/20/86/343092086.db2.gz LEJPKWXGQFBXRX-VZUCSPMQSA-N 0 0 226.254 3.103 10 0 in-vivo BGAERN C(c1c[nH]cn1)=C1CCCc2ccccc21 ZINC000013535865 384856009 /nfs/dbraw/zinc/85/60/09/384856009.db2.gz LBBCKDMLQODDIG-XYOKQWHBSA-N 0 0 210.280 3.287 10 0 BGAERN C[C@H]1C[C@@](C)(c2ccccc2)O[C@@H](C)O1 ZINC000013540498 177352906 /nfs/dbraw/zinc/35/29/06/177352906.db2.gz IEZPIUQRQRWIFE-GVXVVHGQSA-N 0 0 206.285 3.073 10 0 endogenous,in-man BGAERN Oc1c[nH]c2ccc(Br)c(Cl)c12 ZINC000013544494 183254065 /nfs/dbraw/zinc/25/40/65/183254065.db2.gz AXCKOXONHIRKQP-UHFFFAOYSA-N 0 0 246.491 3.289 10 0 in-vitro BGAERN COc1ccc(/C=C\c2ccoc2)cc1 ZINC000013553958 175048978 /nfs/dbraw/zinc/04/89/78/175048978.db2.gz KJEYIJKGWPDCNJ-IHWYPQMZSA-N 0 0 200.237 3.459 10 0 BGAERN COc1ccc(/C=C/c2ccoc2)cc1 ZINC000013553959 175047871 /nfs/dbraw/zinc/04/78/71/175047871.db2.gz KJEYIJKGWPDCNJ-NSCUHMNNSA-N 0 0 200.237 3.459 10 0 BGAERN O=c1c2ccccc2occ1-c1ccc(O)cc1 ZINC000013555056 362724905 /nfs/dbraw/zinc/72/49/05/362724905.db2.gz BJDQPQWMJZEAPE-UHFFFAOYSA-N 0 0 238.242 3.166 10 0 BGAERN Cc1cccc(C)c1NC(=O)c1ccc(O)cc1 ZINC000013555769 179042618 /nfs/dbraw/zinc/04/26/18/179042618.db2.gz AFSOCTSNUFCJTG-UHFFFAOYSA-N 0 0 241.290 3.261 10 0 BGAERN CNc1ccc(-c2cn3ccccc3n2)cc1 ZINC000013558813 384859198 /nfs/dbraw/zinc/85/91/98/384859198.db2.gz POPKEMGAZDABEZ-UHFFFAOYSA-N 0 0 223.279 3.043 10 0 BGAERN CN(C)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000013558814 172547865 /nfs/dbraw/zinc/54/78/65/172547865.db2.gz QOULJXYVKZMPDM-UHFFFAOYSA-N 0 0 237.306 3.067 10 0 BGAERN CNc1ccc(-c2cn3cc(C)ccc3n2)cc1 ZINC000013558815 384857496 /nfs/dbraw/zinc/85/74/96/384857496.db2.gz BZCLHXUEJWOHES-UHFFFAOYSA-N 0 0 237.306 3.351 10 0 BGAERN Cc1ccc(Oc2ccccc2)c(O)c1 ZINC000013559002 384624559 /nfs/dbraw/zinc/62/45/59/384624559.db2.gz HUPPMDCSGSHZHI-UHFFFAOYSA-N 0 0 200.237 3.493 10 0 in-vitro BGAERN O=C1CCCc2c(ccc3ccccc32)O1 ZINC000013560906 343094311 /nfs/dbraw/zinc/09/43/11/343094311.db2.gz ROXTWXQUWDZVDI-UHFFFAOYSA-N 0 0 212.248 3.082 10 0 BGAERN O=C1CCc2c(ccc3ccccc32)S1 ZINC000013560908 343094171 /nfs/dbraw/zinc/09/41/71/343094171.db2.gz HYPFEVZIYSXWAP-UHFFFAOYSA-N 0 0 214.289 3.405 10 0 BGAERN Cc1ccc2c(N)cc(-c3ccccc3)nc2n1 ZINC000013579509 343095082 /nfs/dbraw/zinc/09/50/82/343095082.db2.gz ZUQJILBTGSLROV-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN COc1c2oc3ccccc3c2ccc1O ZINC000013583257 343095995 /nfs/dbraw/zinc/09/59/95/343095995.db2.gz WCGNMNYNGJPZID-UHFFFAOYSA-N 0 0 214.220 3.300 10 0 BGAERN Oc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1 ZINC000013583605 183284387 /nfs/dbraw/zinc/28/43/87/183284387.db2.gz LMARQOUQPBAFEB-UHFFFAOYSA-N 0 0 245.209 3.045 10 0 BGAERN Oc1ccc2oc(-c3ccc(O)c(F)c3)nc2c1 ZINC000013583619 183286396 /nfs/dbraw/zinc/28/63/96/183286396.db2.gz GOGMBKCQZDIOLM-UHFFFAOYSA-N 0 0 245.209 3.045 10 0 in-vivo BGAERN S=c1ccc2cc(Cn3ccnc3)ccc2o1 ZINC000013586728 183314703 /nfs/dbraw/zinc/31/47/03/183314703.db2.gz DUPWCRFJOVHQKN-UHFFFAOYSA-N 0 0 242.303 3.407 10 0 in-vivo BGAERN CCc1nccc2c3ccc(F)cc3[nH]c21 ZINC000013587078 187479586 /nfs/dbraw/zinc/47/95/86/187479586.db2.gz DAUHKTOUORBWCY-UHFFFAOYSA-N 0 0 214.243 3.418 10 0 BGAERN Cc1nccc2c3cc(F)ccc3[nH]c21 ZINC000013587086 180209120 /nfs/dbraw/zinc/20/91/20/180209120.db2.gz SXFHVXCWQOKTFY-UHFFFAOYSA-N 0 0 200.216 3.164 10 0 BGAERN Cc1nccc2c1[nH]c1cccc(F)c12 ZINC000013587087 180208998 /nfs/dbraw/zinc/20/89/98/180208998.db2.gz IZPVJXXNKBMZOD-UHFFFAOYSA-N 0 0 200.216 3.164 10 0 BGAERN Oc1ccc(-c2nc3cc(O)ccc3s2)cc1 ZINC000013601095 183266457 /nfs/dbraw/zinc/26/64/57/183266457.db2.gz GDZBRZPSSANEPO-UHFFFAOYSA-N 0 0 243.287 3.375 10 0 BGAERN Oc1ccc2nc(-c3cccc(O)c3)sc2c1 ZINC000013601099 183288204 /nfs/dbraw/zinc/28/82/04/183288204.db2.gz ZZSNWDPLAJTAIP-UHFFFAOYSA-N 0 0 243.287 3.375 10 0 BGAERN C(=C/c1ccncc1)\c1noc2ccccc12 ZINC000013602114 343096636 /nfs/dbraw/zinc/09/66/36/343096636.db2.gz INOWWNGKAOMZCD-AATRIKPKSA-N 0 0 222.247 3.393 10 0 BGAERN O=C(c1ccccc1)c1ccc2ncccc2c1 ZINC000013602161 343096488 /nfs/dbraw/zinc/09/64/88/343096488.db2.gz AVPITPOWAVYARW-UHFFFAOYSA-N 0 0 233.270 3.466 10 0 BGAERN Cc1csc2nc(-c3ccsc3)cn12 ZINC000013602565 179799645 /nfs/dbraw/zinc/79/96/45/179799645.db2.gz IWSGHRRCVJLMHE-UHFFFAOYSA-N 0 0 220.322 3.433 10 0 BGAERN Cc1ccc2sc(C(N)=O)c(OC(C)C)c2c1 ZINC000013603716 343096627 /nfs/dbraw/zinc/09/66/27/343096627.db2.gz HMXQOYKEYSMCQC-UHFFFAOYSA-N 0 0 249.335 3.096 10 0 BGAERN c1ccc2c(c1)Oc1cccnc1S2 ZINC000013606114 183453292 /nfs/dbraw/zinc/45/32/92/183453292.db2.gz RCNJANXZETXNAA-UHFFFAOYSA-N 0 0 201.250 3.339 10 0 BGAERN COc1ccc(-c2cscc2C)cn1 ZINC000013607099 175037712 /nfs/dbraw/zinc/03/77/12/175037712.db2.gz YISGXSKMDDTTPE-UHFFFAOYSA-N 0 0 205.282 3.127 10 0 BGAERN c1ccc2ncc(-c3cccnc3)cc2c1 ZINC000013607118 183488244 /nfs/dbraw/zinc/48/82/44/183488244.db2.gz TYVWGQYBWPFUKK-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 BGAERN Oc1ccc(C2=COc3cc(O)ccc3C2)cc1 ZINC000013643803 183267657 /nfs/dbraw/zinc/26/76/57/183267657.db2.gz QCNUDDPWPNUALZ-UHFFFAOYSA-N 0 0 240.258 3.074 10 0 in-vivo BGAERN O=C(CC1CCCCC1)Nc1ccccc1CO ZINC000013644484 181895026 /nfs/dbraw/zinc/89/50/26/181895026.db2.gz IIPXVCYSUSMGQP-UHFFFAOYSA-N 0 0 247.338 3.088 10 0 BGAERN Cc1cc2c(o1)c(C)cc1c(C)cc(=O)n(C)c21 ZINC000013652040 178293290 /nfs/dbraw/zinc/29/32/90/178293290.db2.gz BNKSKQXNUGCBBE-UHFFFAOYSA-N 0 0 241.290 3.210 10 0 BGAERN COc1c2c(C)coc2cc2oc(=O)cc(C)c21 ZINC000013652061 343099309 /nfs/dbraw/zinc/09/93/09/343099309.db2.gz DQIDDMUSGVZUGW-UHFFFAOYSA-N 0 0 244.246 3.165 10 0 BGAERN COc1cc2occ(C)c2c2oc(=O)cc(C)c12 ZINC000013652062 175029348 /nfs/dbraw/zinc/02/93/48/175029348.db2.gz MVWCNHLEWGNXQL-UHFFFAOYSA-N 0 0 244.246 3.165 10 0 BGAERN COc1c2c(C)coc2cc2oc(=O)c(C)cc21 ZINC000013652063 174937423 /nfs/dbraw/zinc/93/74/23/174937423.db2.gz IZRODWURZQEHIW-UHFFFAOYSA-N 0 0 244.246 3.165 10 0 BGAERN COc1cc2occ(C)c2c2oc(=O)c(C)cc12 ZINC000013652064 175029290 /nfs/dbraw/zinc/02/92/90/175029290.db2.gz LJSSIFFFAIVZQC-UHFFFAOYSA-N 0 0 244.246 3.165 10 0 BGAERN CNc1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC000013652147 173470816 /nfs/dbraw/zinc/47/08/16/173470816.db2.gz ZDLFHLWYWPGJOJ-UHFFFAOYSA-N 0 0 219.328 3.367 10 0 BGAERN Cn1c2ccc(O)cc2c2c1CCCCC2 ZINC000013652167 343099587 /nfs/dbraw/zinc/09/95/87/343099587.db2.gz BAHOYABULMMMHV-UHFFFAOYSA-N 0 0 215.296 3.153 10 0 BGAERN O=c1[nH]c2c(c3ccccc13)Cc1ccccc1-2 ZINC000013652893 343100008 /nfs/dbraw/zinc/10/00/08/343100008.db2.gz MOPKKHSEOPGEBJ-UHFFFAOYSA-N 0 0 233.270 3.099 10 0 BGAERN Cc1ccc2c(c1)C(=O)CC1(CCCC1)O2 ZINC000013657508 359987421 /nfs/dbraw/zinc/98/74/21/359987421.db2.gz WRQCILORQGBFSO-UHFFFAOYSA-N 0 0 216.280 3.273 10 0 BGAERN Cc1cc(NC(=S)Nc2ccc(C)cc2)no1 ZINC000013658911 188106257 /nfs/dbraw/zinc/10/62/57/188106257.db2.gz QKVKGIHFCNXPHL-UHFFFAOYSA-N 0 0 247.323 3.100 10 0 BGAERN c1[nH]nnc1-c1ccccc1-c1ccccc1 ZINC000013671873 183380783 /nfs/dbraw/zinc/38/07/83/183380783.db2.gz YACUKHPVIIYUIY-UHFFFAOYSA-N 0 0 221.263 3.139 10 0 BGAERN NC(=O)c1ccc2cc(-c3cccnc3)ccc2c1 ZINC000013674475 181302657 /nfs/dbraw/zinc/30/26/57/181302657.db2.gz YZCROTKFKZDMLT-UHFFFAOYSA-N 0 0 248.285 3.001 10 0 BGAERN COc1cc2ccccc2cc1-n1ccnc1 ZINC000013674482 175027728 /nfs/dbraw/zinc/02/77/28/175027728.db2.gz HDJQGQGNKJFUSV-UHFFFAOYSA-N 0 0 224.263 3.034 10 0 in-vivo BGAERN COc1ccc2cc(-n3ccnc3)ccc2c1 ZINC000013674484 175223902 /nfs/dbraw/zinc/22/39/02/175223902.db2.gz 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/nfs/dbraw/zinc/87/43/83/384874383.db2.gz IWHDGKMFQQWLPU-CQSZACIVSA-N 0 0 226.323 3.393 10 0 BGAERN c1cn(CCC[C@@H]2CCCc3ncccc32)cn1 ZINC000013808199 384873304 /nfs/dbraw/zinc/87/33/04/384873304.db2.gz DZIACHPSWDVDES-ZDUSSCGKSA-N 0 0 241.338 3.178 10 0 BGAERN c1cn(CCC[C@H]2CCCc3ncccc32)cn1 ZINC000013808201 384872714 /nfs/dbraw/zinc/87/27/14/384872714.db2.gz DZIACHPSWDVDES-CYBMUJFWSA-N 0 0 241.338 3.178 10 0 BGAERN c1cn(CCCC2=CCCc3ncccc32)cn1 ZINC000013808203 343104361 /nfs/dbraw/zinc/10/43/61/343104361.db2.gz JHKBLBMCCJQROB-UHFFFAOYSA-N 0 0 239.322 3.088 10 0 BGAERN c1cn(CC[C@@H]2CCCc3sccc32)cn1 ZINC000013808209 384874378 /nfs/dbraw/zinc/87/43/78/384874378.db2.gz VXSCOZUNSFZLHG-NSHDSACASA-N 0 0 232.352 3.455 10 0 BGAERN c1cn(CC[C@H]2CCCc3sccc32)cn1 ZINC000013808211 183470825 /nfs/dbraw/zinc/47/08/25/183470825.db2.gz VXSCOZUNSFZLHG-LLVKDONJSA-N 0 0 232.352 3.455 10 0 BGAERN C(\Cn1ccnc1)=C1\CCCc2sccc21 ZINC000013808216 384874424 /nfs/dbraw/zinc/87/44/24/384874424.db2.gz 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168231507 /nfs/dbraw/zinc/23/15/07/168231507.db2.gz VBOUBBFDMXCSFH-ZDUSSCGKSA-N 0 0 239.318 3.006 10 0 BGAERN CCC(=O)NC[C@H]1Cc2cccc3cccc1c23 ZINC000013834461 168233645 /nfs/dbraw/zinc/23/36/45/168233645.db2.gz VBOUBBFDMXCSFH-CYBMUJFWSA-N 0 0 239.318 3.006 10 0 BGAERN CC(=O)NCC[C@@H]1Cc2cccc3cccc1c23 ZINC000013834474 384877876 /nfs/dbraw/zinc/87/78/76/384877876.db2.gz MKXJFIHECBDMDM-CYBMUJFWSA-N 0 0 239.318 3.006 10 0 BGAERN CC(=O)NCC[C@H]1Cc2cccc3cccc1c23 ZINC000013834475 187251171 /nfs/dbraw/zinc/25/11/71/187251171.db2.gz MKXJFIHECBDMDM-ZDUSSCGKSA-N 0 0 239.318 3.006 10 0 BGAERN Oc1ccc(-c2ccc(O)c(Cl)c2)cc1 ZINC000013840606 183264221 /nfs/dbraw/zinc/26/42/21/183264221.db2.gz KOOMYCULAWPCTA-UHFFFAOYSA-N 0 0 220.655 3.418 10 0 BGAERN O=C(CSC1CCCCC1)C(F)(F)F ZINC000013859388 182007671 /nfs/dbraw/zinc/00/76/71/182007671.db2.gz HMUPWRMFCKMYTI-UHFFFAOYSA-N 0 0 226.263 3.184 10 0 BGAERN Cc1ccccc1SCC(=O)C(F)(F)F ZINC000013859398 179315088 /nfs/dbraw/zinc/31/50/88/179315088.db2.gz 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Cc1ccccc1C(=O)Oc1ccccc1C=O ZINC000014016959 179253428 /nfs/dbraw/zinc/25/34/28/179253428.db2.gz OYRQWKHNZUCWFX-UHFFFAOYSA-N 0 0 240.258 3.027 10 0 BGAERN OC1CCC(Nc2nc3ccccc3s2)CC1 ZINC000014235955 183028310 /nfs/dbraw/zinc/02/83/10/183028310.db2.gz PRIGJAADWPRMQH-UHFFFAOYSA-N 0 0 248.351 3.012 10 0 BGAERN COc1ccc2[nH]c3ccc(C=O)cc3c2c1 ZINC000014445238 175202138 /nfs/dbraw/zinc/20/21/38/175202138.db2.gz MPGLRLBJCNRDKU-UHFFFAOYSA-N 0 0 225.247 3.142 10 0 endogenous,in-man BGAERN COc1ccc2c(c1)[nH]c1ccc(C=O)cc12 ZINC000014445242 175217986 /nfs/dbraw/zinc/21/79/86/175217986.db2.gz IBDBRUPJUXYODT-UHFFFAOYSA-N 0 0 225.247 3.142 10 0 BGAERN COc1ccc2cc(CC=C(C)C)c(=O)oc2c1 ZINC000014489238 175224657 /nfs/dbraw/zinc/22/46/57/175224657.db2.gz PENBKJQHRGRFQC-UHFFFAOYSA-N 0 0 244.290 3.310 10 0 BGAERN COc1ccc(CCc2cccc(O)c2)cc1 ZINC000014504066 290779959 /nfs/dbraw/zinc/77/99/59/290779959.db2.gz DUFFAXWNJBEWFP-UHFFFAOYSA-N 0 0 228.291 3.186 10 0 biogenic,in-vitro BGAERN COc1ccc(CCc2cccc(OC)c2)cc1 ZINC000014504068 175093831 /nfs/dbraw/zinc/09/38/31/175093831.db2.gz RISOXQXSFOVFBL-UHFFFAOYSA-N 0 0 242.318 3.489 10 0 BGAERN CCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000014649581 385522624 /nfs/dbraw/zinc/52/26/24/385522624.db2.gz IASGNHXZHCRCBY-UHFFFAOYSA-N 0 0 215.296 3.261 10 0 BGAERN COc1cc(CCc2ccccc2)ccc1O ZINC000014651807 343127496 /nfs/dbraw/zinc/12/74/96/343127496.db2.gz MYGRKYSLUYYRKG-UHFFFAOYSA-N 0 0 228.291 3.186 10 0 BGAERN COc1ccc(CCc2ccccc2)cc1O ZINC000014651810 175093473 /nfs/dbraw/zinc/09/34/73/175093473.db2.gz MFBFJSQTXYOUAV-UHFFFAOYSA-N 0 0 228.291 3.186 10 0 BGAERN [O-][n+]1c2ccccc2ccc1-c1ccccc1 ZINC000014652389 343127719 /nfs/dbraw/zinc/12/77/19/343127719.db2.gz LTYUNJZDGCMBDN-UHFFFAOYSA-N 0 0 221.259 3.140 10 0 BGAERN CC(=O)c1ccc2c(c1)C=C/C(=C\Cl)CO2 ZINC000014683038 187243137 /nfs/dbraw/zinc/24/31/37/187243137.db2.gz QEWSARCWWQPUSM-JXMROGBWSA-N 0 0 234.682 3.418 10 0 BGAERN COc1ccc2c(c1)[nH]cc2-c1nccs1 ZINC000014766024 175202797 /nfs/dbraw/zinc/20/27/97/175202797.db2.gz FGXYYCWDPYDAOS-UHFFFAOYSA-N 0 0 230.292 3.300 10 0 endogenous,in-man BGAERN Cc1ccc([C@@]2(C)CCC[C@@]2(C)CO)cc1 ZINC000014767558 384882943 /nfs/dbraw/zinc/88/29/43/384882943.db2.gz NEFGQLRTSNMYLD-LSDHHAIUSA-N 0 0 218.340 3.435 10 0 BGAERN CC[C@H](C)C[C@@H](C)C[C@@H](C)C(=O)OC ZINC000014822712 343131499 /nfs/dbraw/zinc/13/14/99/343131499.db2.gz RBRLRKACDFDWRL-HBNTYKKESA-N 0 0 200.322 3.258 10 0 BGAERN CC[C@H](C)C[C@H](C)C[C@@H](C)C(=O)OC ZINC000014822716 343131570 /nfs/dbraw/zinc/13/15/70/343131570.db2.gz RBRLRKACDFDWRL-GARJFASQSA-N 0 0 200.322 3.258 10 0 BGAERN CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)[C@H](O)C1 ZINC000014859826 347349507 /nfs/dbraw/zinc/34/95/07/347349507.db2.gz YRFJMOGROZTYPC-YJNKXOJESA-N 0 0 238.371 3.057 10 0 endogenous,in-man BGAERN CC(C)=CCC[C@@H](C)[C@@H]1C=C[C@](C)(O)[C@H](O)C1 ZINC000014859827 571726377 /nfs/dbraw/zinc/72/63/77/571726377.db2.gz YRFJMOGROZTYPC-TUVASFSCSA-N 0 0 238.371 3.057 10 0 endogenous,in-man BGAERN CC1=CC[C@H]([C@@]2(C)CC[C@@H](O)C(C)(C)O2)CC1 ZINC000014859988 168121842 /nfs/dbraw/zinc/12/18/42/168121842.db2.gz WJHRAVIQWFQMKF-GZBFAFLISA-N 0 0 238.371 3.441 10 0 endogenous,in-man BGAERN CC1=CC[C@H]([C@]2(C)CC[C@@H](O)C(C)(C)O2)CC1 ZINC000014859990 168121212 /nfs/dbraw/zinc/12/12/12/168121212.db2.gz WJHRAVIQWFQMKF-GUTXKFCHSA-N 0 0 238.371 3.441 10 0 endogenous,in-man BGAERN CC1=CC[C@@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)CC1 ZINC000014859991 363215447 /nfs/dbraw/zinc/21/54/47/363215447.db2.gz RKBAYVATPNYHLW-VNHYZAJKSA-N 0 0 238.371 3.441 10 0 BGAERN CC1=CC[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)CC1 ZINC000014859992 168121959 /nfs/dbraw/zinc/12/19/59/168121959.db2.gz RKBAYVATPNYHLW-KCQAQPDRSA-N 0 0 238.371 3.441 10 0 endogenous,in-man BGAERN CC1=CC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)O)O2)CC1 ZINC000014859993 168119936 /nfs/dbraw/zinc/11/99/36/168119936.db2.gz RKBAYVATPNYHLW-IPYPFGDCSA-N 0 0 238.371 3.441 10 0 in-vitro BGAERN CC1=CC[C@H]([C@]2(C)CC[C@@H](C(C)(C)O)O2)CC1 ZINC000014859994 168121712 /nfs/dbraw/zinc/12/17/12/168121712.db2.gz RKBAYVATPNYHLW-YDHLFZDLSA-N 0 0 238.371 3.441 10 0 endogenous,in-man BGAERN CC(=O)SCc1ccc(-c2cccnc2)o1 ZINC000014949847 384536062 /nfs/dbraw/zinc/53/60/62/384536062.db2.gz RZXSREPAAUXUKM-UHFFFAOYSA-N 0 0 233.292 3.121 10 0 BGAERN C=CC(=O)Oc1ccc(CCCC)cc1 ZINC000014968985 343136771 /nfs/dbraw/zinc/13/67/71/343136771.db2.gz KAKXARUWYFOIBF-UHFFFAOYSA-N 0 0 204.269 3.121 10 0 BGAERN C=CC(=O)Oc1ccc(C(C)(C)CC)cc1 ZINC000014968993 343136832 /nfs/dbraw/zinc/13/68/32/343136832.db2.gz YJNVZFRESYAKPQ-UHFFFAOYSA-N 0 0 218.296 3.466 10 0 BGAERN Cc1cc(Cl)cc2[nH]nc(Br)c21 ZINC000014983870 350441592 /nfs/dbraw/zinc/44/15/92/350441592.db2.gz GJFHHIKRDSHLMY-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Cc1cc2[nH]nc(Br)c2c(Cl)c1 ZINC000014983963 350442849 /nfs/dbraw/zinc/44/28/49/350442849.db2.gz PAROSALUHWEPOC-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Fc1cc2[nH]nc(Cl)c2c(Cl)c1 ZINC000014983974 350442160 /nfs/dbraw/zinc/44/21/60/350442160.db2.gz FITKKIUJAMSLFP-UHFFFAOYSA-N 0 0 205.019 3.009 10 0 BGAERN Fc1cc2[nH]nc(Br)c2c(Cl)c1 ZINC000014983978 350442451 /nfs/dbraw/zinc/44/24/51/350442451.db2.gz VCIHWTWRRMJGHC-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN Fc1cc2[nH]nc(Cl)c2c(Br)c1 ZINC000014983982 342890138 /nfs/dbraw/zinc/89/01/38/342890138.db2.gz FRAALCRLLBZXKT-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN Fc1cc(Cl)cc2[nH]nc(Cl)c21 ZINC000014984001 350439238 /nfs/dbraw/zinc/43/92/38/350439238.db2.gz ORKHEADMCYHZLE-UHFFFAOYSA-N 0 0 205.019 3.009 10 0 BGAERN Fc1cc(Br)cc2[nH]nc(Cl)c21 ZINC000014984007 384411216 /nfs/dbraw/zinc/41/12/16/384411216.db2.gz FOTXMCMMQKIHQJ-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN Fc1cc(Cl)cc2[nH]nc(Br)c21 ZINC000014985920 342890125 /nfs/dbraw/zinc/89/01/25/342890125.db2.gz SNUBLQWKSXFCFT-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN FC(F)(F)c1ccc2c(Cl)n[nH]c2c1 ZINC000014986011 384411575 /nfs/dbraw/zinc/41/15/75/384411575.db2.gz DKBJSSGQCIDXNW-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN Cc1cc2c(Cl)n[nH]c2cc1Br ZINC000014986139 178278553 /nfs/dbraw/zinc/27/85/53/178278553.db2.gz YFXNUHWTLICLGB-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN COCCOc1ccc(C(=O)C2CCCC2)cc1 ZINC000015014414 174367325 /nfs/dbraw/zinc/36/73/25/174367325.db2.gz HZINUIYASJXBNF-UHFFFAOYSA-N 0 0 248.322 3.085 10 0 BGAERN N#[N+][N-]c1ccsc1C(=O)Nc1ccccc1 ZINC000015022756 188106473 /nfs/dbraw/zinc/10/64/73/188106473.db2.gz QFPZRJJOUMUSSE-UHFFFAOYSA-O 0 0 245.287 3.180 10 0 BGAERN Brc1ccccc1-c1cocn1 ZINC000015042168 166103030 /nfs/dbraw/zinc/10/30/30/166103030.db2.gz NNVPRFQLCUJXQC-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Cc1ccc(-c2cn3cc(Cl)cnc3n2)cc1 ZINC000015042914 178328167 /nfs/dbraw/zinc/32/81/67/178328167.db2.gz IMCKHGRSSDFLEX-UHFFFAOYSA-N 0 0 243.697 3.358 10 0 BGAERN Cc1cc(Br)cc2[nH]c(=S)[nH]c21 ZINC000015042960 177722774 /nfs/dbraw/zinc/72/27/74/177722774.db2.gz FAFYEJCLBCSEAD-UHFFFAOYSA-N 0 0 243.129 3.296 10 0 BGAERN Cc1ccc2c(c1)NC(=O)c1ccccc1O2 ZINC000015107723 178947017 /nfs/dbraw/zinc/94/70/17/178947017.db2.gz PUUANEHDCIMSLV-UHFFFAOYSA-N 0 0 225.247 3.353 10 0 BGAERN Oc1ccc(/C=C\c2cccc(O)c2)cc1 ZINC000015117299 183266187 /nfs/dbraw/zinc/26/61/87/183266187.db2.gz UFGKEFGYNRJIGO-PLNGDYQASA-N 0 0 212.248 3.268 10 0 BGAERN CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12 ZINC000015148140 167911333 /nfs/dbraw/zinc/91/13/33/167911333.db2.gz UMUMRNRVJNFLPT-SLEUVZQESA-N 0 0 234.339 3.322 10 0 BGAERN CC1(C)CCC[C@]2(C)C3=C(C=C[C@@H]12)C(=O)OC3 ZINC000015148146 342892955 /nfs/dbraw/zinc/89/29/55/342892955.db2.gz IQJQVMRLNOWNDT-SWLSCSKDSA-N 0 0 232.323 3.242 10 0 BGAERN CC(C)=C1C[C@@]23O[C@]1(O)C=C(C)[C@H]2CC[C@H]3C ZINC000015160851 168126879 /nfs/dbraw/zinc/12/68/79/168126879.db2.gz ISFMXVMWEWLJGJ-RJZRQDKASA-N 0 0 234.339 3.177 10 0 endogenous,in-man BGAERN CC(C)=C1C[C@@]23O[C@]1(O)C=C(C)[C@H]2CC[C@@H]3C ZINC000015160852 168126876 /nfs/dbraw/zinc/12/68/76/168126876.db2.gz ISFMXVMWEWLJGJ-MYZSUADSSA-N 0 0 234.339 3.177 10 0 endogenous,in-man BGAERN CC(C)=C1C[C@@]23O[C@]1(O)C=C(C)[C@@H]2CC[C@H]3C ZINC000015160853 168125969 /nfs/dbraw/zinc/12/59/69/168125969.db2.gz ISFMXVMWEWLJGJ-PAPYEOQZSA-N 0 0 234.339 3.177 10 0 endogenous,in-man BGAERN CNc1nc(-c2ccccc2)nc2ccccc21 ZINC000015206842 384420770 /nfs/dbraw/zinc/42/07/70/384420770.db2.gz YWMRDABGCCUALK-UHFFFAOYSA-N 0 0 235.290 3.339 10 0 BGAERN CCOc1c2ccoc2nc2ccccc21 ZINC000015222606 170515790 /nfs/dbraw/zinc/51/57/90/170515790.db2.gz SMZJVUVNROXPST-UHFFFAOYSA-N 0 0 213.236 3.380 10 0 BGAERN Fc1ccc(-c2c[nH]nc2-c2ccncc2)cc1 ZINC000015412115 560230266 /nfs/dbraw/zinc/23/02/66/560230266.db2.gz UCYCFYFNBWRJIL-UHFFFAOYSA-N 0 0 239.253 3.278 10 0 in-vitro BGAERN CC(=O)c1ccccc1-c1ccccc1C=O ZINC000015416103 385223859 /nfs/dbraw/zinc/22/38/59/385223859.db2.gz QGWGEVKTZRASLS-UHFFFAOYSA-N 0 0 224.259 3.369 10 0 BGAERN O=Cc1cccn1Cc1ccccc1Cl ZINC000015416697 368423418 /nfs/dbraw/zinc/42/34/18/368423418.db2.gz QQHLFHGRARGYFA-UHFFFAOYSA-N 0 0 219.671 3.002 10 0 BGAERN Cc1ccccc1/C=C/C(=O)Nc1cccnc1 ZINC000015435987 385266986 /nfs/dbraw/zinc/26/69/86/385266986.db2.gz ORGQAOZNFVWPLX-CMDGGOBGSA-N 0 0 238.290 3.042 10 0 BGAERN OCCc1ccc(-c2ccc(F)cc2)cc1 ZINC000015441191 183099535 /nfs/dbraw/zinc/09/95/35/183099535.db2.gz QIYAEIYKTGDSOV-UHFFFAOYSA-N 0 0 216.255 3.028 10 0 BGAERN Cc1ccc(-c2cccc(CCO)c2)cc1 ZINC000015441200 178326562 /nfs/dbraw/zinc/32/65/62/178326562.db2.gz ALDXCQFCKDUKSE-UHFFFAOYSA-N 0 0 212.292 3.197 10 0 BGAERN Cc1cccc(-c2cccc(CCO)c2)c1 ZINC000015441203 342896256 /nfs/dbraw/zinc/89/62/56/342896256.db2.gz YNQNNIBGRHWDNC-UHFFFAOYSA-N 0 0 212.292 3.197 10 0 BGAERN Cc1cc(-c2cccs2)nc(=S)[nH]1 ZINC000015442716 385272638 /nfs/dbraw/zinc/27/26/38/385272638.db2.gz QVIMWQSPYYIIRM-UHFFFAOYSA-N 0 0 208.311 3.176 10 0 BGAERN OCCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000015445927 183100315 /nfs/dbraw/zinc/10/03/15/183100315.db2.gz BUHQDNJEIACSBT-UHFFFAOYSA-N 0 0 237.302 3.370 10 0 BGAERN COC(=O)Cc1ccc(Oc2ccccc2)cc1 ZINC000015446518 342896487 /nfs/dbraw/zinc/89/64/87/342896487.db2.gz DCUCESWPRGIZQA-UHFFFAOYSA-N 0 0 242.274 3.194 10 0 BGAERN Cc1cccc(/C=C/C(=O)NC2CCCC2)c1 ZINC000015593258 384433584 /nfs/dbraw/zinc/43/35/84/384433584.db2.gz TVDNFDHJMSJGDW-MDZDMXLPSA-N 0 0 229.323 3.067 10 0 BGAERN O=C(NCSc1ccccc1)c1ccccc1 ZINC000015771601 182219229 /nfs/dbraw/zinc/21/92/29/182219229.db2.gz NLUFNWLTQGIRQW-UHFFFAOYSA-N 0 0 243.331 3.166 10 0 BGAERN c1ccc(C2=NC[C@@H]3CCCC[C@@H]3O2)cc1 ZINC000015771861 183388709 /nfs/dbraw/zinc/38/87/09/183388709.db2.gz LLQDDIVSWQGFTO-STQMWFEESA-N 0 0 215.296 3.022 10 0 BGAERN c1ccc(C2=NC[C@@H]3CCCC[C@H]3O2)cc1 ZINC000015771863 183389567 /nfs/dbraw/zinc/38/95/67/183389567.db2.gz LLQDDIVSWQGFTO-QWHCGFSZSA-N 0 0 215.296 3.022 10 0 BGAERN c1ccc(C2=NC[C@H]3CCCC[C@@H]3O2)cc1 ZINC000015771865 183389615 /nfs/dbraw/zinc/38/96/15/183389615.db2.gz LLQDDIVSWQGFTO-OLZOCXBDSA-N 0 0 215.296 3.022 10 0 BGAERN c1ccc(C2=NC[C@H]3CCCC[C@H]3O2)cc1 ZINC000015771866 183388839 /nfs/dbraw/zinc/38/88/39/183388839.db2.gz LLQDDIVSWQGFTO-CHWSQXEVSA-N 0 0 215.296 3.022 10 0 BGAERN O[C@@]1(Cc2ccccc2)CCCc2ccccc21 ZINC000015771941 183215829 /nfs/dbraw/zinc/21/58/29/183215829.db2.gz MWOGZQDSYVXMER-QGZVFWFLSA-N 0 0 238.330 3.453 10 0 BGAERN O[C@]1(Cc2ccccc2)CCCc2ccccc21 ZINC000015771943 183251682 /nfs/dbraw/zinc/25/16/82/183251682.db2.gz MWOGZQDSYVXMER-KRWDZBQOSA-N 0 0 238.330 3.453 10 0 BGAERN c1ccc(CN2COc3ccccc3C2)cc1 ZINC000015778585 385344582 /nfs/dbraw/zinc/34/45/82/385344582.db2.gz CNESFSITZOEJEC-UHFFFAOYSA-N 0 0 225.291 3.039 10 0 BGAERN Cc1ccc(C(=O)c2ccc(C)cc2)o1 ZINC000015780077 385344762 /nfs/dbraw/zinc/34/47/62/385344762.db2.gz XMEGKWWSIDYIHN-UHFFFAOYSA-N 0 0 200.237 3.127 10 0 BGAERN C(=C/n1nnc2ccccc21)\c1cccs1 ZINC000015781219 343268478 /nfs/dbraw/zinc/26/84/78/343268478.db2.gz FIMGEKLGKRESFA-BQYQJAHWSA-N 0 0 227.292 3.121 10 0 BGAERN Cc1cccc2c1O[C@H](c1ccccc1)OC2=O ZINC000015783876 179222412 /nfs/dbraw/zinc/22/24/12/179222412.db2.gz SXGRDBXXGBOYHJ-HNNXBMFYSA-N 0 0 240.258 3.243 10 0 BGAERN Cc1cccc2c1O[C@@H](c1ccccc1)OC2=O ZINC000015783878 179222863 /nfs/dbraw/zinc/22/28/63/179222863.db2.gz SXGRDBXXGBOYHJ-OAHLLOKOSA-N 0 0 240.258 3.243 10 0 BGAERN C[C@H](C(=O)c1ccccc1)[C@@H]1CCCCO1 ZINC000015784842 176589329 /nfs/dbraw/zinc/58/93/29/176589329.db2.gz LGYXRYVEEREODN-AAEUAGOBSA-N 0 0 218.296 3.075 10 0 BGAERN C[C@H](C(=O)c1ccccc1)[C@H]1CCCCO1 ZINC000015784846 176589145 /nfs/dbraw/zinc/58/91/45/176589145.db2.gz LGYXRYVEEREODN-WCQYABFASA-N 0 0 218.296 3.075 10 0 BGAERN C[C@@H](C(=O)c1ccccc1)[C@H]1CCCCO1 ZINC000015784848 175629878 /nfs/dbraw/zinc/62/98/78/175629878.db2.gz LGYXRYVEEREODN-DGCLKSJQSA-N 0 0 218.296 3.075 10 0 BGAERN C[C@H]1[C@H](NC(=O)c2ccc(F)cc2)CCC[C@@H]1C ZINC000015792059 177122052 /nfs/dbraw/zinc/12/20/52/177122052.db2.gz ZJZYWIFIAGNTDN-MISXGVKJSA-N 0 0 249.329 3.380 10 0 BGAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000015792061 177136561 /nfs/dbraw/zinc/13/65/61/177136561.db2.gz ZJZYWIFIAGNTDN-WDMOLILDSA-N 0 0 249.329 3.380 10 0 BGAERN COc1ccccc1-c1ccccc1O ZINC000015809888 175309678 /nfs/dbraw/zinc/30/96/78/175309678.db2.gz VEBHAMMTQRXOJT-UHFFFAOYSA-N 0 0 200.237 3.068 10 0 BGAERN C[C@@H](NO)c1ccc(-c2ccccc2)cc1 ZINC000015809890 385348198 /nfs/dbraw/zinc/34/81/98/385348198.db2.gz DHHXWJHVYUNCFV-LLVKDONJSA-N 0 0 213.280 3.393 10 0 BGAERN Cc1cc(C)cc(Nc2ncccc2N)c1 ZINC000015864711 346775776 /nfs/dbraw/zinc/77/57/76/346775776.db2.gz ZIAWKIALTNQZIZ-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN O=C1CC2(CCCC2)Oc2ccc(F)cc21 ZINC000015973882 359987694 /nfs/dbraw/zinc/98/76/94/359987694.db2.gz NEFGSGLLXOJEFF-UHFFFAOYSA-N 0 0 220.243 3.104 10 0 BGAERN Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1 ZINC000016052350 180958709 /nfs/dbraw/zinc/95/87/09/180958709.db2.gz BILJSHVAAVZERY-UHFFFAOYSA-N 0 0 239.253 3.278 10 0 in-vivo BGAERN Brc1ccc2c(c1)CCC[C@H]1O[C@@H]21 ZINC000016083221 166100027 /nfs/dbraw/zinc/10/00/27/166100027.db2.gz RMIMKWWOOGIVJW-MNOVXSKESA-N 0 0 239.112 3.225 10 0 BGAERN Brc1ccc2c(c1)CCC[C@@H]1O[C@H]21 ZINC000016083224 166099289 /nfs/dbraw/zinc/09/92/89/166099289.db2.gz 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C[C@@H]1CCCC[C@H]1Oc1cncc(Cl)n1 ZINC000019804269 176090257 /nfs/dbraw/zinc/09/02/57/176090257.db2.gz YAFPVDBPCJMUQA-RKDXNWHRSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1cncc(Cl)n1 ZINC000019804270 177090063 /nfs/dbraw/zinc/09/00/63/177090063.db2.gz YAFPVDBPCJMUQA-DTWKUNHWSA-N 0 0 226.707 3.088 10 0 BGAERN COc1ccc(OCC2CCCCC2)c(N)c1 ZINC000019805227 175172112 /nfs/dbraw/zinc/17/21/12/175172112.db2.gz NIGGWIWBMFSDBY-UHFFFAOYSA-N 0 0 235.327 3.237 10 0 BGAERN NC(=S)c1ccc(OCC2CCCCC2)cc1 ZINC000019805399 187252453 /nfs/dbraw/zinc/25/24/53/187252453.db2.gz GYKJZWYDTNPSCQ-UHFFFAOYSA-N 0 0 249.379 3.280 10 0 BGAERN NC(=S)c1ccccc1OCC1CCCCC1 ZINC000019805414 181321524 /nfs/dbraw/zinc/32/15/24/181321524.db2.gz HQVSCHRTOKHIHU-UHFFFAOYSA-N 0 0 249.379 3.280 10 0 BGAERN CCC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000019806302 168255587 /nfs/dbraw/zinc/25/55/87/168255587.db2.gz QSBAFYXUIVJTKP-UHFFFAOYSA-N 0 0 232.201 3.220 10 0 BGAERN CCCCOc1ccccc1C(=O)CC ZINC000019806354 168921443 /nfs/dbraw/zinc/92/14/43/168921443.db2.gz FRADZJZIVAGVJK-UHFFFAOYSA-N 0 0 206.285 3.458 10 0 BGAERN CCC(=O)c1ccccc1OCC(F)(F)F ZINC000019806359 168259240 /nfs/dbraw/zinc/25/92/40/168259240.db2.gz JHDZDHOECFUTPL-UHFFFAOYSA-N 0 0 232.201 3.220 10 0 BGAERN CCC(=O)c1ccccc1OCC(C)C ZINC000019806375 168259233 /nfs/dbraw/zinc/25/92/33/168259233.db2.gz FNVQZZBAOZQVSP-UHFFFAOYSA-N 0 0 206.285 3.314 10 0 BGAERN Cc1ccc2c(c1)CCCN2c1ccc(N)cn1 ZINC000019806436 132327572 /nfs/dbraw/zinc/32/75/72/132327572.db2.gz NPBNWTRBCMODGS-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN Cc1ccc2c(c1)CCCN2c1ncccc1N ZINC000019806438 132327609 /nfs/dbraw/zinc/32/76/09/132327609.db2.gz OYBUUYNZYUUFDB-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN CCc1ccc(COc2ccccc2N)s1 ZINC000019806448 171813931 /nfs/dbraw/zinc/81/39/31/171813931.db2.gz AOIXRHFHMVTNDM-UHFFFAOYSA-N 0 0 233.336 3.472 10 0 BGAERN CCc1cccc(Oc2ncccc2N)c1 ZINC000019806560 171866931 /nfs/dbraw/zinc/86/69/31/171866931.db2.gz HAAQJSMQVFJBSB-UHFFFAOYSA-N 0 0 214.268 3.019 10 0 BGAERN CCc1cccc(OCc2cccc(N)c2)c1 ZINC000019806561 384541479 /nfs/dbraw/zinc/54/14/79/384541479.db2.gz ZJIRVAPNMXFOBE-UHFFFAOYSA-N 0 0 227.307 3.410 10 0 BGAERN CCc1cccc(OCc2ccccc2N)c1 ZINC000019806562 171866071 /nfs/dbraw/zinc/86/60/71/171866071.db2.gz CBSHGUWSGFOASQ-UHFFFAOYSA-N 0 0 227.307 3.410 10 0 BGAERN Cc1cccc(COc2cc(C)ccc2N)c1 ZINC000019806649 179103334 /nfs/dbraw/zinc/10/33/34/179103334.db2.gz TVXDQETVTYNQEM-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN O=C1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000019806677 132327599 /nfs/dbraw/zinc/32/75/99/132327599.db2.gz YBUKEDQGBVUVHT-UHFFFAOYSA-N 0 0 244.121 3.163 10 0 BGAERN O=C1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000019806680 132327647 /nfs/dbraw/zinc/32/76/47/132327647.db2.gz JUKBFIBHTNWOMG-UHFFFAOYSA-N 0 0 244.121 3.163 10 0 BGAERN O=C1CCN(c2cc(Cl)cc(Cl)c2)CC1 ZINC000019806681 132327701 /nfs/dbraw/zinc/32/77/01/132327701.db2.gz ULEOXAJHXYAVNI-UHFFFAOYSA-N 0 0 244.121 3.163 10 0 BGAERN C/C=C/COc1ccc(C(=O)CC)cc1 ZINC000019806749 188351018 /nfs/dbraw/zinc/35/10/18/188351018.db2.gz SYCMVRGLLWKSRO-HWKANZROSA-N 0 0 204.269 3.234 10 0 BGAERN CCC(=O)c1ccccc1OC/C=C/Cl ZINC000019806755 168258869 /nfs/dbraw/zinc/25/88/69/168258869.db2.gz LCHWSMLJIGTHLS-VMPITWQZSA-N 0 0 224.687 3.411 10 0 BGAERN C/C=C/COc1ccccc1C(=O)CC ZINC000019806759 188173159 /nfs/dbraw/zinc/17/31/59/188173159.db2.gz KBUNYDAQPRKVPW-HWKANZROSA-N 0 0 204.269 3.234 10 0 BGAERN Cc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1C ZINC000019807323 178337072 /nfs/dbraw/zinc/33/70/72/178337072.db2.gz CIWPFZNARWLDKD-UHFFFAOYSA-N 0 0 237.306 3.429 10 0 BGAERN Cc1ccccc1Cc1nc2cc(N)ccc2[nH]1 ZINC000019807331 179293238 /nfs/dbraw/zinc/29/32/38/179293238.db2.gz YDNKRRIFNUMPPA-UHFFFAOYSA-N 0 0 237.306 3.044 10 0 BGAERN Cc1ccc(-c2nc3cc(N)ccc3[nH]2)s1 ZINC000019807335 178337654 /nfs/dbraw/zinc/33/76/54/178337654.db2.gz SMBXDSBYSYXMHS-UHFFFAOYSA-N 0 0 229.308 3.182 10 0 BGAERN Cc1ccc(-c2nc3cc(N)ccc3[nH]2)c(C)c1 ZINC000019807341 178337523 /nfs/dbraw/zinc/33/75/23/178337523.db2.gz QMMXKRABWAVCJT-UHFFFAOYSA-N 0 0 237.306 3.429 10 0 BGAERN Cc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1F ZINC000019807346 178337310 /nfs/dbraw/zinc/33/73/10/178337310.db2.gz WGJRKRCKANMVLF-UHFFFAOYSA-N 0 0 241.269 3.260 10 0 BGAERN CCC1CCC(NCC(F)(F)F)CC1 ZINC000019807466 347357310 /nfs/dbraw/zinc/35/73/10/347357310.db2.gz NJTYBXKZGZNBHB-UHFFFAOYSA-N 0 0 209.255 3.107 10 0 BGAERN CC[C@@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000019807505 170891393 /nfs/dbraw/zinc/89/13/93/170891393.db2.gz PMAMKCSRDYCCMP-SNVBAGLBSA-N 0 0 235.224 3.429 10 0 BGAERN Cc1ccccc1[C@H](C)NCC(F)(F)F ZINC000019807514 179337042 /nfs/dbraw/zinc/33/70/42/179337042.db2.gz YOGGIQSTRUDJCG-VIFPVBQESA-N 0 0 217.234 3.208 10 0 BGAERN CCOc1ccccc1[C@@H](C)NCC(F)(F)F ZINC000019807524 342958728 /nfs/dbraw/zinc/95/87/28/342958728.db2.gz JIOVKAALINMTAW-SECBINFHSA-N 0 0 247.260 3.298 10 0 BGAERN CCOc1ccccc1[C@H](C)NCC(F)(F)F ZINC000019807525 342958806 /nfs/dbraw/zinc/95/88/06/342958806.db2.gz JIOVKAALINMTAW-VIFPVBQESA-N 0 0 247.260 3.298 10 0 BGAERN C[C@@H]1C[C@@H](NCC(F)(F)F)CC(C)(C)C1 ZINC000019807544 176375745 /nfs/dbraw/zinc/37/57/45/176375745.db2.gz RKKNXKDXJZMJRC-RKDXNWHRSA-N 0 0 223.282 3.353 10 0 BGAERN C[C@H]1C[C@@H](NCC(F)(F)F)CC(C)(C)C1 ZINC000019807545 177331297 /nfs/dbraw/zinc/33/12/97/177331297.db2.gz RKKNXKDXJZMJRC-DTWKUNHWSA-N 0 0 223.282 3.353 10 0 BGAERN C[C@@H]1C[C@H](NCC(F)(F)F)CC(C)(C)C1 ZINC000019807546 385078886 /nfs/dbraw/zinc/07/88/86/385078886.db2.gz RKKNXKDXJZMJRC-BDAKNGLRSA-N 0 0 223.282 3.353 10 0 BGAERN C[C@H]1C[C@H](NCC(F)(F)F)CC(C)(C)C1 ZINC000019807547 177368966 /nfs/dbraw/zinc/36/89/66/177368966.db2.gz RKKNXKDXJZMJRC-IUCAKERBSA-N 0 0 223.282 3.353 10 0 BGAERN CCc1ccc([C@@H](C)NCC(F)(F)F)cc1 ZINC000019807558 385079802 /nfs/dbraw/zinc/07/98/02/385079802.db2.gz PDPSWFILEVYRGU-SECBINFHSA-N 0 0 231.261 3.462 10 0 BGAERN CCc1ccc([C@H](C)NCC(F)(F)F)cc1 ZINC000019807559 385079931 /nfs/dbraw/zinc/07/99/31/385079931.db2.gz PDPSWFILEVYRGU-VIFPVBQESA-N 0 0 231.261 3.462 10 0 BGAERN CC[C@H](C)C[C@H](CC)NCC(F)(F)F ZINC000019807563 171299132 /nfs/dbraw/zinc/29/91/32/171299132.db2.gz QBYHVVZKIRRCGV-IUCAKERBSA-N 0 0 211.271 3.353 10 0 BGAERN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1C=O ZINC000019809415 178348336 /nfs/dbraw/zinc/34/83/36/178348336.db2.gz BDFMYMLCPXWLDL-UHFFFAOYSA-N 0 0 248.713 3.263 10 0 BGAERN Cc1cc(Oc2ncccc2N)ccc1Cl ZINC000019812818 178216214 /nfs/dbraw/zinc/21/62/14/178216214.db2.gz MHLKBHFWHJVDRC-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN Cc1cc(OCCCC(N)=S)ccc1Cl ZINC000019814796 178209460 /nfs/dbraw/zinc/20/94/60/178209460.db2.gz PUVPMFBHWRZEJH-UHFFFAOYSA-N 0 0 243.759 3.094 10 0 BGAERN CCCSc1ccc(Cl)cc1N ZINC000019815476 169341221 /nfs/dbraw/zinc/34/12/21/169341221.db2.gz YSACECBFMPAMHR-UHFFFAOYSA-N 0 0 201.722 3.424 10 0 BGAERN CC(C)COC(=O)Nc1ccc(N)cc1Cl ZINC000019815633 187417833 /nfs/dbraw/zinc/41/78/33/187417833.db2.gz RLFDVGIUYLZMLE-UHFFFAOYSA-N 0 0 242.706 3.127 10 0 BGAERN CC(C)COC(=O)Nc1ccc(Cl)c(N)c1 ZINC000019815658 188281530 /nfs/dbraw/zinc/28/15/30/188281530.db2.gz HLBGYWIJVYKJCY-UHFFFAOYSA-N 0 0 242.706 3.127 10 0 BGAERN Cc1ccc(N)c(C)c1NC(=O)OCC(C)C ZINC000019815667 188281450 /nfs/dbraw/zinc/28/14/50/188281450.db2.gz JNXFEIQDBVZNRS-UHFFFAOYSA-N 0 0 236.315 3.090 10 0 BGAERN CC(C)COC(=O)Nc1cccc2c1NCCC2 ZINC000019816356 187252801 /nfs/dbraw/zinc/25/28/01/187252801.db2.gz FXFJUDFORXIDQW-UHFFFAOYSA-N 0 0 248.326 3.249 10 0 BGAERN O=C(NC1CCCCCCC1)c1ccc(O)cc1 ZINC000019838512 182115455 /nfs/dbraw/zinc/11/54/55/182115455.db2.gz ZGIIQYFCRUBTKU-UHFFFAOYSA-N 0 0 247.338 3.235 10 0 BGAERN Cc1cccc(C(=O)NC2CCC(C)CC2)c1O ZINC000019839258 179014662 /nfs/dbraw/zinc/01/46/62/179014662.db2.gz OJIMYLRWSSJRKL-UHFFFAOYSA-N 0 0 247.338 3.009 10 0 BGAERN O=C(Nc1cccc(Cl)c1)c1ccc(O)cc1 ZINC000019839495 182368688 /nfs/dbraw/zinc/36/86/88/182368688.db2.gz LVZBHOGCLODELQ-UHFFFAOYSA-N 0 0 247.681 3.298 10 0 BGAERN Cc1cc(C)cc(NC(=O)c2ccc(O)cc2)c1 ZINC000019839813 177908630 /nfs/dbraw/zinc/90/86/30/177908630.db2.gz CFDHYGIHVOQIDQ-UHFFFAOYSA-N 0 0 241.290 3.261 10 0 BGAERN Cc1cc(F)ccc1NC(=O)c1ccc(O)cc1 ZINC000019840185 178089515 /nfs/dbraw/zinc/08/95/15/178089515.db2.gz HSELVMNSDKWQMK-UHFFFAOYSA-N 0 0 245.253 3.092 10 0 BGAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1cc(C(=O)[O-])ccn1 ZINC000019844996 177137982 /nfs/dbraw/zinc/13/79/82/177137982.db2.gz NUSXEUYCSFLPOB-UMNHJUIQSA-N 0 0 248.326 3.016 10 0 BGAERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc(C(=O)[O-])cn1 ZINC000019845004 177137723 /nfs/dbraw/zinc/13/77/23/177137723.db2.gz SPTVEECYZDTUBZ-UMNHJUIQSA-N 0 0 248.326 3.016 10 0 BGAERN COc1cccc(Sc2ccc(N)cc2)c1 ZINC000019845554 175285955 /nfs/dbraw/zinc/28/59/55/175285955.db2.gz OLWKHLSFQUXYIY-UHFFFAOYSA-N 0 0 231.320 3.429 10 0 BGAERN COc1cccc(Sc2ccccc2N)c1 ZINC000019845557 175285589 /nfs/dbraw/zinc/28/55/89/175285589.db2.gz UYDKVYPFSPUUBP-UHFFFAOYSA-N 0 0 231.320 3.429 10 0 BGAERN Cc1ccc(Sc2ccc(N)cn2)c(C)c1 ZINC000019845560 178829955 /nfs/dbraw/zinc/82/99/55/178829955.db2.gz RREDKKWVLBENBF-UHFFFAOYSA-N 0 0 230.336 3.432 10 0 BGAERN Cc1ccc(Sc2ccc(N)cn2)cc1C ZINC000019845636 178830902 /nfs/dbraw/zinc/83/09/02/178830902.db2.gz KQCOUQXRJMZGPA-UHFFFAOYSA-N 0 0 230.336 3.432 10 0 BGAERN Cc1ccc(Sc2ncccc2N)cc1C ZINC000019845637 178830581 /nfs/dbraw/zinc/83/05/81/178830581.db2.gz CMTCEWITVICAKX-UHFFFAOYSA-N 0 0 230.336 3.432 10 0 BGAERN COc1cccc(OC)c1Oc1ccccc1N ZINC000019845699 175282918 /nfs/dbraw/zinc/28/29/18/175282918.db2.gz UEUKXEQTKIEXLY-UHFFFAOYSA-N 0 0 245.278 3.078 10 0 BGAERN CC(C)COc1ccc(C(F)(F)F)cc1N ZINC000019845768 188281350 /nfs/dbraw/zinc/28/13/50/188281350.db2.gz JWDCQWMFIFXKFL-UHFFFAOYSA-N 0 0 233.233 3.322 10 0 BGAERN CC(C)COc1ccc(N)c(C(F)(F)F)c1 ZINC000019845770 188462055 /nfs/dbraw/zinc/46/20/55/188462055.db2.gz VLNNCCYMUSKMIV-UHFFFAOYSA-N 0 0 233.233 3.322 10 0 BGAERN CC1CCC(Oc2ccccc2N)CC1 ZINC000019845779 188350973 /nfs/dbraw/zinc/35/09/73/188350973.db2.gz SJRFOYXCYQHCMT-UHFFFAOYSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccccc1N ZINC000019845797 176082392 /nfs/dbraw/zinc/08/23/92/176082392.db2.gz BFOPLDNRXUZKDU-PWSUYJOCSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccccc1N ZINC000019845798 177084680 /nfs/dbraw/zinc/08/46/80/177084680.db2.gz BFOPLDNRXUZKDU-JQWIXIFHSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccccc1N ZINC000019845799 176090410 /nfs/dbraw/zinc/09/04/10/176090410.db2.gz BFOPLDNRXUZKDU-ZYHUDNBSSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccccc1N ZINC000019845800 177090297 /nfs/dbraw/zinc/09/02/97/177090297.db2.gz BFOPLDNRXUZKDU-CMPLNLGQSA-N 0 0 205.301 3.226 10 0 BGAERN CC[C@@H](C)n1[nH]cc2nc(-c3ccccc3)nc1-2 ZINC000019866107 170810905 /nfs/dbraw/zinc/81/09/05/170810905.db2.gz KUQBRWLAMJKKEQ-SNVBAGLBSA-N 0 0 240.310 3.397 10 0 BGAERN NC(=S)c1ccc(NC2CCCCC2)cc1 ZINC000019866532 188281827 /nfs/dbraw/zinc/28/18/27/188281827.db2.gz RGAGUDXKNKFYML-UHFFFAOYSA-N 0 0 234.368 3.065 10 0 BGAERN NC(=S)c1ccc(Nc2ccccc2)cc1 ZINC000019866535 343139802 /nfs/dbraw/zinc/13/98/02/343139802.db2.gz YFMDHNNQSIBUSY-UHFFFAOYSA-N 0 0 228.320 3.064 10 0 BGAERN NC(=S)c1ccc(Nc2ccc(F)cc2)cc1 ZINC000019866882 187253092 /nfs/dbraw/zinc/25/30/92/187253092.db2.gz SFJBHGBJVPRFJL-UHFFFAOYSA-N 0 0 246.310 3.204 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(C(N)=S)cc1 ZINC000019866895 176081752 /nfs/dbraw/zinc/08/17/52/176081752.db2.gz YIPQAICOMFNJMI-MFKMUULPSA-N 0 0 248.395 3.311 10 0 BGAERN C[C@H]1CCCC[C@@H]1Nc1ccc(C(N)=S)cc1 ZINC000019866898 177083669 /nfs/dbraw/zinc/08/36/69/177083669.db2.gz YIPQAICOMFNJMI-GWCFXTLKSA-N 0 0 248.395 3.311 10 0 BGAERN C[C@@H]1CCCC[C@H]1Nc1ccc(C(N)=S)cc1 ZINC000019866900 176089616 /nfs/dbraw/zinc/08/96/16/176089616.db2.gz YIPQAICOMFNJMI-ZWNOBZJWSA-N 0 0 248.395 3.311 10 0 BGAERN C[C@H]1CCCC[C@H]1Nc1ccc(C(N)=S)cc1 ZINC000019866902 177089597 /nfs/dbraw/zinc/08/95/97/177089597.db2.gz YIPQAICOMFNJMI-GXFFZTMASA-N 0 0 248.395 3.311 10 0 BGAERN CC1CCC(Nc2ccc(C(N)=S)cc2)CC1 ZINC000019867001 168165408 /nfs/dbraw/zinc/16/54/08/168165408.db2.gz WVGAYYZESIMGOE-UHFFFAOYSA-N 0 0 248.395 3.311 10 0 BGAERN Cc1cccc(Nc2ccc(C(N)=S)cc2)c1 ZINC000019867014 179159027 /nfs/dbraw/zinc/15/90/27/179159027.db2.gz DXSCANGRVWWBRV-UHFFFAOYSA-N 0 0 242.347 3.373 10 0 BGAERN Cc1ccccc1Nc1ccc(C(N)=S)cc1 ZINC000019867031 179308249 /nfs/dbraw/zinc/30/82/49/179308249.db2.gz WWEIFCNHMJFCFK-UHFFFAOYSA-N 0 0 242.347 3.373 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C(N)=S)cc1 ZINC000019867092 176082677 /nfs/dbraw/zinc/08/26/77/176082677.db2.gz FVDWRWWRNWWCPL-MFKMUULPSA-N 0 0 249.379 3.278 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccc(C(N)=S)cc1 ZINC000019867095 177084074 /nfs/dbraw/zinc/08/40/74/177084074.db2.gz FVDWRWWRNWWCPL-GWCFXTLKSA-N 0 0 249.379 3.278 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccc(C(N)=S)cc1 ZINC000019867096 176089968 /nfs/dbraw/zinc/08/99/68/176089968.db2.gz FVDWRWWRNWWCPL-ZWNOBZJWSA-N 0 0 249.379 3.278 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccc(C(N)=S)cc1 ZINC000019867098 177090316 /nfs/dbraw/zinc/09/03/16/177090316.db2.gz FVDWRWWRNWWCPL-GXFFZTMASA-N 0 0 249.379 3.278 10 0 BGAERN C[C@@H]1Cc2ccccc2N1c1ccc(F)cc1N ZINC000019868585 176452189 /nfs/dbraw/zinc/45/21/89/176452189.db2.gz SBPLUDMEFGNOIE-SNVBAGLBSA-N 0 0 242.297 3.491 10 0 BGAERN C[C@H]1Cc2ccccc2N1c1ccc(F)cc1N ZINC000019868588 177390728 /nfs/dbraw/zinc/39/07/28/177390728.db2.gz SBPLUDMEFGNOIE-JTQLQIEISA-N 0 0 242.297 3.491 10 0 BGAERN CCCCN(CC)c1ccc(F)cc1N ZINC000019868669 168804441 /nfs/dbraw/zinc/80/44/41/168804441.db2.gz BQXMGPNHUWTRCS-UHFFFAOYSA-N 0 0 210.296 3.034 10 0 BGAERN C[C@@H]1CCc2ccccc2N1c1ccc(N)nc1 ZINC000019868719 132328295 /nfs/dbraw/zinc/32/82/95/132328295.db2.gz DBTLQSDCAXXJNQ-LLVKDONJSA-N 0 0 239.322 3.137 10 0 BGAERN C[C@H]1CCc2ccccc2N1c1ccc(N)nc1 ZINC000019868721 132328215 /nfs/dbraw/zinc/32/82/15/132328215.db2.gz DBTLQSDCAXXJNQ-NSHDSACASA-N 0 0 239.322 3.137 10 0 BGAERN Cc1ccc2c(c1)CCCN2c1ccc(N)nc1 ZINC000019868764 132328257 /nfs/dbraw/zinc/32/82/57/132328257.db2.gz IKZCRZFODJYNNW-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1N ZINC000019869247 176082607 /nfs/dbraw/zinc/08/26/07/176082607.db2.gz ROYFAUWZNQKVAW-SKDRFNHKSA-N 0 0 223.291 3.365 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1N ZINC000019869248 177084439 /nfs/dbraw/zinc/08/44/39/177084439.db2.gz ROYFAUWZNQKVAW-CABZTGNLSA-N 0 0 223.291 3.365 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1N ZINC000019869249 176090537 /nfs/dbraw/zinc/09/05/37/176090537.db2.gz ROYFAUWZNQKVAW-BXKDBHETSA-N 0 0 223.291 3.365 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccc(F)cc1N ZINC000019869250 177090000 /nfs/dbraw/zinc/09/00/00/177090000.db2.gz ROYFAUWZNQKVAW-JOYOIKCWSA-N 0 0 223.291 3.365 10 0 BGAERN CC(C)C[C@@H](C)Oc1ccc(F)cc1N ZINC000019869275 188350906 /nfs/dbraw/zinc/35/09/06/188350906.db2.gz IBFBQDMNSKUNSZ-SECBINFHSA-N 0 0 211.280 3.221 10 0 BGAERN Nc1ccc(Sc2ccc(Cl)cc2)cn1 ZINC000019869326 355362312 /nfs/dbraw/zinc/36/23/12/355362312.db2.gz DJVNPCJPJPNGGS-UHFFFAOYSA-N 0 0 236.727 3.468 10 0 BGAERN Cc1ccc(Sc2ccc(N)nc2)cc1 ZINC000019869345 386821382 /nfs/dbraw/zinc/82/13/82/386821382.db2.gz SAGBGHLFRBLJPI-UHFFFAOYSA-N 0 0 216.309 3.123 10 0 BGAERN CCSc1ccc(Br)cc1N ZINC000019869643 170654714 /nfs/dbraw/zinc/65/47/14/170654714.db2.gz ZKZJYAIFKQGACK-UHFFFAOYSA-N 0 0 232.146 3.143 10 0 BGAERN CCCSc1c(N)cccc1Cl ZINC000019869665 169341339 /nfs/dbraw/zinc/34/13/39/169341339.db2.gz QGTWWHQVGDVOOG-UHFFFAOYSA-N 0 0 201.722 3.424 10 0 BGAERN CC(=O)c1cc(F)ccc1N1CCCC[C@H]1C ZINC000019870965 132328264 /nfs/dbraw/zinc/32/82/64/132328264.db2.gz YMQMMMFFGUOXOL-SNVBAGLBSA-N 0 0 235.302 3.407 10 0 BGAERN CC(=O)c1cc(F)ccc1N1CCCC[C@@H]1C ZINC000019870966 132328239 /nfs/dbraw/zinc/32/82/39/132328239.db2.gz YMQMMMFFGUOXOL-JTQLQIEISA-N 0 0 235.302 3.407 10 0 BGAERN CC(=O)c1ccc(N2CCCC[C@H]2C)cc1 ZINC000019870967 132328283 /nfs/dbraw/zinc/32/82/83/132328283.db2.gz QBRBYMGYQOXMEU-LLVKDONJSA-N 0 0 217.312 3.268 10 0 BGAERN CC(=O)c1ccc(N2CCCC[C@@H]2C)cc1 ZINC000019870968 132328265 /nfs/dbraw/zinc/32/82/65/132328265.db2.gz QBRBYMGYQOXMEU-NSHDSACASA-N 0 0 217.312 3.268 10 0 BGAERN CC(=O)c1c(F)cccc1N1CCCC[C@H]1C ZINC000019870969 132328236 /nfs/dbraw/zinc/32/82/36/132328236.db2.gz PLPWSTIMBAYWHL-SNVBAGLBSA-N 0 0 235.302 3.407 10 0 BGAERN CC(=O)c1ccccc1N1CCCC[C@H]1C ZINC000019870971 534916866 /nfs/dbraw/zinc/91/68/66/534916866.db2.gz HNDTVNPBWKKGHO-LLVKDONJSA-N 0 0 217.312 3.268 10 0 BGAERN CC(=O)c1ccccc1N1CCCC[C@@H]1C ZINC000019870972 534916281 /nfs/dbraw/zinc/91/62/81/534916281.db2.gz HNDTVNPBWKKGHO-NSHDSACASA-N 0 0 217.312 3.268 10 0 BGAERN CC(=O)c1ccccc1N1CCC[C@@H](C)C1 ZINC000019871005 534915981 /nfs/dbraw/zinc/91/59/81/534915981.db2.gz WISNDNOVUVBRDJ-LLVKDONJSA-N 0 0 217.312 3.126 10 0 BGAERN CC(=O)c1ccccc1N1CCC[C@H](C)C1 ZINC000019871006 534916869 /nfs/dbraw/zinc/91/68/69/534916869.db2.gz WISNDNOVUVBRDJ-NSHDSACASA-N 0 0 217.312 3.126 10 0 BGAERN CCCCN(C)c1ccccc1C(C)=O ZINC000019871054 168786132 /nfs/dbraw/zinc/78/61/32/168786132.db2.gz KXUFULNAXVEWPQ-UHFFFAOYSA-N 0 0 205.301 3.126 10 0 BGAERN CC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000019871101 132328281 /nfs/dbraw/zinc/32/82/81/132328281.db2.gz IITDTUHHINWIBM-VXGBXAGGSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000019871102 132328253 /nfs/dbraw/zinc/32/82/53/132328253.db2.gz IITDTUHHINWIBM-TXEJJXNPSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000019871103 132328172 /nfs/dbraw/zinc/32/81/72/132328172.db2.gz IITDTUHHINWIBM-RYUDHWBXSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1ccccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000019871107 534916908 /nfs/dbraw/zinc/91/69/08/534916908.db2.gz KNHGBXSGOFCTJO-VXGBXAGGSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1ccccc1N1C[C@H](C)C[C@H](C)C1 ZINC000019871108 534916553 /nfs/dbraw/zinc/91/65/53/534916553.db2.gz KNHGBXSGOFCTJO-TXEJJXNPSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1ccccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000019871109 534916067 /nfs/dbraw/zinc/91/60/67/534916067.db2.gz KNHGBXSGOFCTJO-RYUDHWBXSA-N 0 0 231.339 3.372 10 0 BGAERN CC(=O)c1cc(F)ccc1OC1CCCC1 ZINC000019871237 166446909 /nfs/dbraw/zinc/44/69/09/166446909.db2.gz XJHDLFJTTXRAFS-UHFFFAOYSA-N 0 0 222.259 3.350 10 0 BGAERN CC(=O)c1ccc(OCc2ccco2)c(F)c1 ZINC000019871245 166468196 /nfs/dbraw/zinc/46/81/96/166468196.db2.gz GZHYTICJIKHWLY-UHFFFAOYSA-N 0 0 234.226 3.200 10 0 BGAERN CC(=O)c1ccccc1OCc1ccco1 ZINC000019871249 166482730 /nfs/dbraw/zinc/48/27/30/166482730.db2.gz OJXVDWZDBXMOLF-UHFFFAOYSA-N 0 0 216.236 3.061 10 0 BGAERN CC(=O)c1c(F)cccc1OCCC(C)C ZINC000019871311 166435338 /nfs/dbraw/zinc/43/53/38/166435338.db2.gz GHXOAMXFWGFBEM-UHFFFAOYSA-N 0 0 224.275 3.453 10 0 BGAERN Cc1cccc(CN2CCc3cc(N)ccc32)c1 ZINC000019874957 179081081 /nfs/dbraw/zinc/08/10/81/179081081.db2.gz DTROEOSCCQOGRU-UHFFFAOYSA-N 0 0 238.334 3.140 10 0 BGAERN Cc1ccccc1CN1CCc2cc(N)ccc21 ZINC000019874965 179276229 /nfs/dbraw/zinc/27/62/29/179276229.db2.gz DNLHILJKRZVCAA-UHFFFAOYSA-N 0 0 238.334 3.140 10 0 BGAERN Nc1ccc2c(c1)CCCN2Cc1cccs1 ZINC000019875211 132328840 /nfs/dbraw/zinc/32/88/40/132328840.db2.gz WEMMQTFEJDNXMU-UHFFFAOYSA-N 0 0 244.363 3.283 10 0 BGAERN CCCCCN1CCCc2cc(N)ccc21 ZINC000019875230 132328869 /nfs/dbraw/zinc/32/88/69/132328869.db2.gz APRAJEJPUAUGFW-UHFFFAOYSA-N 0 0 218.344 3.212 10 0 BGAERN CC(C)CCN1CCCc2cc(N)ccc21 ZINC000019875240 132328848 /nfs/dbraw/zinc/32/88/48/132328848.db2.gz BOLXDQDFUUOFDB-UHFFFAOYSA-N 0 0 218.344 3.068 10 0 BGAERN Cc1ccc(Cl)cc1NC[C@@H]1CCOC1 ZINC000019875316 188352252 /nfs/dbraw/zinc/35/22/52/188352252.db2.gz IZGNSZAZIACYPT-JTQLQIEISA-N 0 0 225.719 3.097 10 0 BGAERN Cc1ccc(Cl)cc1NC[C@H]1CCOC1 ZINC000019875317 187826251 /nfs/dbraw/zinc/82/62/51/187826251.db2.gz IZGNSZAZIACYPT-SNVBAGLBSA-N 0 0 225.719 3.097 10 0 BGAERN Cc1cccc(N[C@@H]2COc3cc(O)ccc32)c1 ZINC000019877273 179155035 /nfs/dbraw/zinc/15/50/35/179155035.db2.gz NDVXWZSLRAUFTH-CQSZACIVSA-N 0 0 241.290 3.246 10 0 BGAERN Cc1cccc(N[C@H]2COc3cc(O)ccc32)c1 ZINC000019877275 179158159 /nfs/dbraw/zinc/15/81/59/179158159.db2.gz NDVXWZSLRAUFTH-AWEZNQCLSA-N 0 0 241.290 3.246 10 0 BGAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccnc1 ZINC000019884178 176114194 /nfs/dbraw/zinc/11/41/94/176114194.db2.gz RDNNJBJGVBPXJU-GHMZBOCLSA-N 0 0 204.317 3.318 10 0 BGAERN C[C@@H]1CCC[C@H](C)C1Nc1cccnc1 ZINC000019884180 177113586 /nfs/dbraw/zinc/11/35/86/177113586.db2.gz RDNNJBJGVBPXJU-QYJAPNMZSA-N 0 0 204.317 3.318 10 0 BGAERN C[C@H]1CCC[C@H](C)C1Nc1cccnc1 ZINC000019884181 177130551 /nfs/dbraw/zinc/13/05/51/177130551.db2.gz RDNNJBJGVBPXJU-QWRGUYRKSA-N 0 0 204.317 3.318 10 0 BGAERN C[C@H]1C[C@@H]1c1ccc(CNc2cccnc2)o1 ZINC000019884207 177351409 /nfs/dbraw/zinc/35/14/09/177351409.db2.gz YTKNYSIENXLCAT-GWCFXTLKSA-N 0 0 228.295 3.410 10 0 BGAERN C[C@@H]1C[C@H]1c1ccc(CNc2cccnc2)o1 ZINC000019884209 176448226 /nfs/dbraw/zinc/44/82/26/176448226.db2.gz YTKNYSIENXLCAT-ZWNOBZJWSA-N 0 0 228.295 3.410 10 0 BGAERN C[C@H]1C[C@H]1c1ccc(CNc2cccnc2)o1 ZINC000019884211 177387334 /nfs/dbraw/zinc/38/73/34/177387334.db2.gz YTKNYSIENXLCAT-GXFFZTMASA-N 0 0 228.295 3.410 10 0 BGAERN COc1ccccc1[C@@H](C)Nc1cccnc1 ZINC000019884248 175346519 /nfs/dbraw/zinc/34/65/19/175346519.db2.gz IQIKKXMILXFFLD-LLVKDONJSA-N 0 0 228.295 3.263 10 0 BGAERN COc1ccccc1[C@H](C)Nc1cccnc1 ZINC000019884249 175352223 /nfs/dbraw/zinc/35/22/23/175352223.db2.gz IQIKKXMILXFFLD-NSHDSACASA-N 0 0 228.295 3.263 10 0 BGAERN C[C@@H](Nc1cccnc1)c1cccs1 ZINC000019884281 175934720 /nfs/dbraw/zinc/93/47/20/175934720.db2.gz BKGHSJRXGSHDIM-SECBINFHSA-N 0 0 204.298 3.316 10 0 BGAERN C[C@@H](Nc1cccnc1)c1ccccc1F ZINC000019884288 175935192 /nfs/dbraw/zinc/93/51/92/175935192.db2.gz ICAGXMUNJIOIIX-SNVBAGLBSA-N 0 0 216.259 3.394 10 0 BGAERN C[C@H](Nc1cccnc1)c1ccccc1F ZINC000019884289 176936564 /nfs/dbraw/zinc/93/65/64/176936564.db2.gz ICAGXMUNJIOIIX-JTQLQIEISA-N 0 0 216.259 3.394 10 0 BGAERN COc1ccc([C@@H](C)Nc2cccnc2)cc1 ZINC000019884320 175177840 /nfs/dbraw/zinc/17/78/40/175177840.db2.gz ZBKAGPDTKWARML-LLVKDONJSA-N 0 0 228.295 3.263 10 0 BGAERN COc1ccc([C@H](C)Nc2cccnc2)cc1 ZINC000019884321 175190298 /nfs/dbraw/zinc/19/02/98/175190298.db2.gz ZBKAGPDTKWARML-NSHDSACASA-N 0 0 228.295 3.263 10 0 BGAERN COc1cccc([C@@H](C)Nc2cccnc2)c1 ZINC000019884328 175287787 /nfs/dbraw/zinc/28/77/87/175287787.db2.gz KPRBPMXTPJKMBG-LLVKDONJSA-N 0 0 228.295 3.263 10 0 BGAERN COc1cccc([C@H](C)Nc2cccnc2)c1 ZINC000019884330 175293883 /nfs/dbraw/zinc/29/38/83/175293883.db2.gz KPRBPMXTPJKMBG-NSHDSACASA-N 0 0 228.295 3.263 10 0 BGAERN CC[C@H](Nc1cccnc1)c1ccc(O)cc1 ZINC000019884354 171551777 /nfs/dbraw/zinc/55/17/77/171551777.db2.gz NGBBLOHDJACBCN-AWEZNQCLSA-N 0 0 228.295 3.350 10 0 BGAERN C[C@@H](CCc1ccc(O)cc1)Nc1cccnc1 ZINC000019884381 175685022 /nfs/dbraw/zinc/68/50/22/175685022.db2.gz ONMPKPXLNXKLFV-LBPRGKRZSA-N 0 0 242.322 3.220 10 0 BGAERN C[C@H](Nc1cccnc1)c1cccc(F)c1 ZINC000019884504 176936608 /nfs/dbraw/zinc/93/66/08/176936608.db2.gz LQDWMVRJPMGQNX-JTQLQIEISA-N 0 0 216.259 3.394 10 0 BGAERN c1ccc2c(c1)OCC[C@@H]2Nc1cccnc1 ZINC000019884544 183497059 /nfs/dbraw/zinc/49/70/59/183497059.db2.gz CTRLEXOMUQAUIZ-ZDUSSCGKSA-N 0 0 226.279 3.017 10 0 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175331768 /nfs/dbraw/zinc/33/17/68/175331768.db2.gz REASTGFUHJOMAB-LLVKDONJSA-N 0 0 231.295 3.139 10 0 BGAERN COc1ccccc1CN[C@@H](C)c1ccc(C)o1 ZINC000019903207 175330471 /nfs/dbraw/zinc/33/04/71/175330471.db2.gz MFIISHMELPLOLN-LBPRGKRZSA-N 0 0 245.322 3.447 10 0 BGAERN COc1ccccc1CN[C@H](C)c1ccc(C)o1 ZINC000019903208 175331671 /nfs/dbraw/zinc/33/16/71/175331671.db2.gz MFIISHMELPLOLN-GFCCVEGCSA-N 0 0 245.322 3.447 10 0 BGAERN COc1ccc(NCCC(C)C)c(OC)c1 ZINC000019903364 175150394 /nfs/dbraw/zinc/15/03/94/175150394.db2.gz UFXVEJRXXHQJBF-UHFFFAOYSA-N 0 0 223.316 3.162 10 0 BGAERN CC[C@@H](C)Nc1cccc2cccnc21 ZINC000019903734 170760139 /nfs/dbraw/zinc/76/01/39/170760139.db2.gz SEMUDTIGYFYZCK-SNVBAGLBSA-N 0 0 200.285 3.445 10 0 BGAERN CC[C@H](C)Nc1cccc2cccnc21 ZINC000019903735 171350197 /nfs/dbraw/zinc/35/01/97/171350197.db2.gz SEMUDTIGYFYZCK-JTQLQIEISA-N 0 0 200.285 3.445 10 0 BGAERN CCCNc1cc(C)c(Cl)cc1OC ZINC000019904293 169293442 /nfs/dbraw/zinc/29/34/42/169293442.db2.gz 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213.280 3.253 10 0 BGAERN CC(C)CC[NH2+][C@H](C)c1ccc(O)c(F)c1 ZINC000020468559 397965650 /nfs/dbraw/zinc/96/56/50/397965650.db2.gz QXANUVSGUQHWID-SNVBAGLBSA-N 0 0 225.307 3.228 10 0 BGAERN Cc1ccc(F)c(NCC(F)(F)F)c1 ZINC000020471918 582459924 /nfs/dbraw/zinc/45/99/24/582459924.db2.gz SLMXNOMAWNTKNM-UHFFFAOYSA-N 0 0 207.170 3.108 10 0 BGAERN Fc1c(Cl)cccc1NCC(F)(F)F ZINC000020472550 582460052 /nfs/dbraw/zinc/46/00/52/582460052.db2.gz FBCDLTUUEFZPAV-UHFFFAOYSA-N 0 0 227.588 3.453 10 0 BGAERN CC(C)Oc1ccc(NC[C@@H]2CCCO2)cc1 ZINC000020473123 167297075 /nfs/dbraw/zinc/29/70/75/167297075.db2.gz YBYWHHRFWZEJDG-AWEZNQCLSA-N 0 0 235.327 3.065 10 0 BGAERN CC(C)Oc1ccc(NC[C@H]2CCCO2)cc1 ZINC000020473124 167297298 /nfs/dbraw/zinc/29/72/98/167297298.db2.gz YBYWHHRFWZEJDG-CQSZACIVSA-N 0 0 235.327 3.065 10 0 BGAERN Nc1cc(F)ccc1NCc1cccc(F)c1 ZINC000020473486 181688066 /nfs/dbraw/zinc/68/80/66/181688066.db2.gz FWSBTULXZWHOME-UHFFFAOYSA-N 0 0 234.249 3.159 10 0 BGAERN Nc1ccccc1NCc1cccc(F)c1 ZINC000020473494 181756446 /nfs/dbraw/zinc/75/64/46/181756446.db2.gz HLUCSQSJGCDMET-UHFFFAOYSA-N 0 0 216.259 3.020 10 0 BGAERN CCCOc1ccc(Oc2ncccc2N)cc1 ZINC000020473857 169320853 /nfs/dbraw/zinc/32/08/53/169320853.db2.gz WFHBWKWYRWHSFX-UHFFFAOYSA-N 0 0 244.294 3.245 10 0 BGAERN Oc1cccc(CNc2c(F)cccc2F)c1 ZINC000020476108 183291195 /nfs/dbraw/zinc/29/11/95/183291195.db2.gz AHXJYXWCRQZIBB-UHFFFAOYSA-N 0 0 235.233 3.283 10 0 BGAERN Oc1ccc(CNc2c(F)cccc2F)cc1 ZINC000020476328 183269996 /nfs/dbraw/zinc/26/99/96/183269996.db2.gz BYFJRDBCGGTUPV-UHFFFAOYSA-N 0 0 235.233 3.283 10 0 BGAERN Nc1ccc(SCc2ccco2)c(F)c1 ZINC000020480751 188354320 /nfs/dbraw/zinc/35/43/20/188354320.db2.gz DTEDBBGJIFUAPI-UHFFFAOYSA-N 0 0 223.272 3.293 10 0 BGAERN CCCC[C@@H](CC)C(=O)Nc1cccc(N)c1 ZINC000020481649 168953825 /nfs/dbraw/zinc/95/38/25/168953825.db2.gz HLXCJQSDJLDYTB-LLVKDONJSA-N 0 0 234.343 3.424 10 0 BGAERN CCCCN(CCCC)C(=O)c1ccccc1N ZINC000020484444 168805419 /nfs/dbraw/zinc/80/54/19/168805419.db2.gz BGHIWAIZODHKRH-UHFFFAOYSA-N 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/nfs/dbraw/zinc/25/40/96/187254096.db2.gz IWVZJSHFHIBHMW-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1ccccc1COc1ccc(N)c(C)c1 ZINC000021961507 178213547 /nfs/dbraw/zinc/21/35/47/178213547.db2.gz DPAPRIHIYYORGA-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1ccc(C(=O)Nc2ccccc2N)c(C)c1 ZINC000021962163 178438243 /nfs/dbraw/zinc/43/82/43/178438243.db2.gz QEIOZAGWLSNISZ-UHFFFAOYSA-N 0 0 240.306 3.138 10 0 BGAERN Nc1cc(Cl)ccc1C(=O)Nc1ccccc1 ZINC000021963510 343031142 /nfs/dbraw/zinc/03/11/42/343031142.db2.gz IWQRPSNYHYDWNI-UHFFFAOYSA-N 0 0 246.697 3.175 10 0 BGAERN Cc1cc(N)ccc1NC(=O)CC1CCCC1 ZINC000021965122 178105802 /nfs/dbraw/zinc/10/58/02/178105802.db2.gz QNRNUFPPVFRCMB-UHFFFAOYSA-N 0 0 232.327 3.096 10 0 BGAERN Nc1cc(F)ccc1NC(=O)Nc1ccccc1 ZINC000021966406 181686813 /nfs/dbraw/zinc/68/68/13/181686813.db2.gz AUGSSUIXVBROPU-UHFFFAOYSA-N 0 0 245.257 3.052 10 0 BGAERN Cc1ccccc1COc1cc(F)ccc1N ZINC000021966571 179286190 /nfs/dbraw/zinc/28/61/90/179286190.db2.gz OOOAQOXEQYTBFB-UHFFFAOYSA-N 0 0 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BQBQLNJUTFBUCB-UHFFFAOYSA-N 0 0 230.263 3.350 10 0 BGAERN COC(=O)c1ccc(-c2c(C)cccc2C)o1 ZINC000021991086 173864975 /nfs/dbraw/zinc/86/49/75/173864975.db2.gz BGDSFXYCZKHWDE-UHFFFAOYSA-N 0 0 230.263 3.350 10 0 BGAERN COC(=O)c1ccc(-c2cccc(C)c2C)o1 ZINC000021991089 397993577 /nfs/dbraw/zinc/99/35/77/397993577.db2.gz ZSISLQOGEAIJKZ-UHFFFAOYSA-N 0 0 230.263 3.350 10 0 BGAERN CCCC[P@H](=O)OCc1ccccc1 ZINC000021993419 169015750 /nfs/dbraw/zinc/01/57/50/169015750.db2.gz KIPRTGDZDBDHFV-UHFFFAOYSA-N 0 0 212.229 3.478 10 0 BGAERN CC(C)(C)C(=O)Cc1ccc(Cl)cc1 ZINC000021993487 343032657 /nfs/dbraw/zinc/03/26/57/343032657.db2.gz OGJSXKLSNLMPCL-UHFFFAOYSA-N 0 0 210.704 3.498 10 0 BGAERN c1cc(C2=NCCc3ccccc32)cs1 ZINC000021993627 385162403 /nfs/dbraw/zinc/16/24/03/385162403.db2.gz HBALWXLTPDKZCF-UHFFFAOYSA-N 0 0 213.305 3.142 10 0 BGAERN COC(=O)/C=C/C=C/CSc1ccccc1 ZINC000021993645 173495939 /nfs/dbraw/zinc/49/59/39/173495939.db2.gz OJTJJRSXSCZADV-ASVGJQBISA-N 0 0 234.320 3.064 10 0 BGAERN 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187253687 /nfs/dbraw/zinc/25/36/87/187253687.db2.gz AKIADVSHKRVDTG-UHFFFAOYSA-N 0 0 204.269 3.019 10 0 BGAERN CC(C)(C)C(=O)CCC(=O)c1ccccc1 ZINC000021995442 343032835 /nfs/dbraw/zinc/03/28/35/343032835.db2.gz IZBIILHAJJUBNU-UHFFFAOYSA-N 0 0 218.296 3.265 10 0 BGAERN CCC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000021995452 168198932 /nfs/dbraw/zinc/19/89/32/168198932.db2.gz GOPIHDJIGFSCCQ-UHFFFAOYSA-N 0 0 224.687 3.282 10 0 BGAERN CCCCOC(=O)C=Cc1ccc(C(C)=O)cc1 ZINC000021995817 256522677 /nfs/dbraw/zinc/52/26/77/256522677.db2.gz KXJMLIJUVXEVKQ-JXMROGBWSA-N 0 0 246.306 3.246 10 0 BGAERN O=c1cc(-c2ccc(F)cc2)[nH]c2ccccc12 ZINC000021996410 182991540 /nfs/dbraw/zinc/99/15/40/182991540.db2.gz DDWQZZRJKTVNGX-UHFFFAOYSA-N 0 0 239.249 3.334 10 0 BGAERN O=C1OC[C@@H](c2ccccc2)N1c1ccccc1 ZINC000021996745 384720328 /nfs/dbraw/zinc/72/03/28/384720328.db2.gz JGXSWAULHGGZFZ-AWEZNQCLSA-N 0 0 239.274 3.385 10 0 BGAERN O=C1OC[C@H](c2ccccc2)N1c1ccccc1 ZINC000021996749 384720863 /nfs/dbraw/zinc/72/08/63/384720863.db2.gz 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10 0 BGAERN COc1ccc(-c2nc(SC)c(C)o2)cc1 ZINC000021999196 175039482 /nfs/dbraw/zinc/03/94/82/175039482.db2.gz MMXCPAXKYQEYGN-UHFFFAOYSA-N 0 0 235.308 3.381 10 0 BGAERN COc1cccc(N(C)c2ccccc2)c1 ZINC000021999286 175275430 /nfs/dbraw/zinc/27/54/30/175275430.db2.gz FWAOJONKONPYIH-UHFFFAOYSA-N 0 0 213.280 3.463 10 0 BGAERN O=C(c1ccccc1)n1cnc(-c2ccccc2)c1 ZINC000022000989 343032733 /nfs/dbraw/zinc/03/27/33/343032733.db2.gz DEFRPKSDBUGDFP-UHFFFAOYSA-N 0 0 248.285 3.239 10 0 BGAERN FC(F)(F)c1ccc(C2=NCCC2)cc1 ZINC000022002971 383960788 /nfs/dbraw/zinc/96/07/88/383960788.db2.gz CQWLAMBVONGCJI-UHFFFAOYSA-N 0 0 213.202 3.288 10 0 BGAERN CCC(=O)CCCCOc1ccccc1 ZINC000022003710 168199112 /nfs/dbraw/zinc/19/91/12/168199112.db2.gz UWHSJQYQWPNGDS-UHFFFAOYSA-N 0 0 206.285 3.215 10 0 BGAERN CC1CCN(c2c[nH]c3ccccc32)CC1 ZINC000022004104 168187779 /nfs/dbraw/zinc/18/77/79/168187779.db2.gz GRFPWFRDSDITAX-UHFFFAOYSA-N 0 0 214.312 3.404 10 0 BGAERN CC(=O)C(C(C)=O)[C@H](C)c1ccc(Cl)cc1 ZINC000022004287 188008424 /nfs/dbraw/zinc/00/84/24/188008424.db2.gz ODCQMUOFDAFPMM-MRVPVSSYSA-N 0 0 238.714 3.238 10 0 BGAERN CC(=O)C(C(C)=O)[C@@H](C)c1ccc(Cl)cc1 ZINC000022004293 259414586 /nfs/dbraw/zinc/41/45/86/259414586.db2.gz ODCQMUOFDAFPMM-QMMMGPOBSA-N 0 0 238.714 3.238 10 0 BGAERN CC(=O)C(C(C)=O)[C@H](C)c1ccccc1Cl ZINC000022004299 188355704 /nfs/dbraw/zinc/35/57/04/188355704.db2.gz UTEZYKYHBWDTBT-MRVPVSSYSA-N 0 0 238.714 3.238 10 0 BGAERN COc1ccc2ccc(C(C)=O)cc2c1 ZINC000022004483 175226007 /nfs/dbraw/zinc/22/60/07/175226007.db2.gz SOWWMGCWNOFKST-UHFFFAOYSA-N 0 0 200.237 3.051 10 0 BGAERN CC(C)(C)c1cc(=O)c2ccccc2o1 ZINC000022004625 384722061 /nfs/dbraw/zinc/72/20/61/384722061.db2.gz PCXZUUWQDATSLS-UHFFFAOYSA-N 0 0 202.253 3.091 10 0 BGAERN Cc1c(F)cccc1NC(=O)OC(C)(C)C ZINC000022005287 187591897 /nfs/dbraw/zinc/59/18/97/187591897.db2.gz GOWOAABMUXCQKO-UHFFFAOYSA-N 0 0 225.263 3.481 10 0 BGAERN CCOC(=O)c1cc2ccc(Cl)c(C)c2[nH]1 ZINC000022010680 170294031 /nfs/dbraw/zinc/29/40/31/170294031.db2.gz YNDWEYPVECNWPU-UHFFFAOYSA-N 0 0 237.686 3.306 10 0 BGAERN COC(=O)c1ccc(C2CCCCC2)c(N)c1 ZINC000022012342 386304079 /nfs/dbraw/zinc/30/40/79/386304079.db2.gz YUKWCGFURYBCDB-UHFFFAOYSA-N 0 0 233.311 3.103 10 0 BGAERN c1c2ccncc2[nH]c1CCc1ccccc1 ZINC000022015462 183394648 /nfs/dbraw/zinc/39/46/48/183394648.db2.gz KCVIJDIWVCXOPX-UHFFFAOYSA-N 0 0 222.291 3.348 10 0 BGAERN CC(=O)c1ccc2cc(N(C)C)ccc2c1 ZINC000022047164 166470754 /nfs/dbraw/zinc/47/07/54/166470754.db2.gz FUVQYVZTQJOEQT-UHFFFAOYSA-N 0 0 213.280 3.108 10 0 in-vitro BGAERN [NH3+]CCCCCCCCCCCCC(=O)[O-] ZINC000022048354 343261657 /nfs/dbraw/zinc/26/16/57/343261657.db2.gz YHNQOXAUNKFXNZ-UHFFFAOYSA-N 0 0 229.364 3.321 10 0 BGAERN Cc1cc(C(=O)c2ccccc2F)c(N)s1 ZINC000022048430 383914939 /nfs/dbraw/zinc/91/49/39/383914939.db2.gz NBCSNRZONHHXIO-UHFFFAOYSA-N 0 0 235.283 3.009 10 0 in-vitro BGAERN Cc1cc(OC(=O)OC(C)(C)C)ccc1O ZINC000022053485 178207221 /nfs/dbraw/zinc/20/72/21/178207221.db2.gz DMXZOCUVVOPORJ-UHFFFAOYSA-N 0 0 224.256 3.015 10 0 in-vitro BGAERN Nc1ccc(NCc2ccc(Cl)cc2)cc1N ZINC000022054306 343037487 /nfs/dbraw/zinc/03/74/87/343037487.db2.gz QWWMRIAXTVBRAL-UHFFFAOYSA-N 0 0 247.729 3.117 10 0 in-vitro BGAERN COc1cccc(C(=O)Nc2ccccc2)c1C ZINC000022062321 368320866 /nfs/dbraw/zinc/32/08/66/368320866.db2.gz JMYLVZGGEKBZAB-UHFFFAOYSA-N 0 0 241.290 3.256 10 0 BGAERN O=[N+]([O-])N(c1ccccc1)c1ccccc1 ZINC000022064546 343038659 /nfs/dbraw/zinc/03/86/59/343038659.db2.gz AYLBVKUPVXVTSO-UHFFFAOYSA-N 0 0 214.224 3.016 10 0 in-vitro BGAERN Cc1cc(OC(=O)C(C)(C)C)c(C)c(C)c1O ZINC000022065919 178204996 /nfs/dbraw/zinc/20/49/96/178204996.db2.gz UFMQDNRRAHRPCN-UHFFFAOYSA-N 0 0 236.311 3.269 10 0 in-vitro BGAERN CC(C)c1ccc(C(=O)c2ccncc2)cc1 ZINC000022121768 167592967 /nfs/dbraw/zinc/59/29/67/167592967.db2.gz UXVREIOQIBVKSM-UHFFFAOYSA-N 0 0 225.291 3.436 10 0 BGAERN Cc1cc(N)ccc1NC(=O)Nc1ccccc1 ZINC000022141266 178105692 /nfs/dbraw/zinc/10/56/92/178105692.db2.gz PYAXAXGIWLJZEG-UHFFFAOYSA-N 0 0 241.294 3.221 10 0 BGAERN Nc1cccc(NC(=O)Nc2ccc(F)cc2)c1 ZINC000022141727 181746419 /nfs/dbraw/zinc/74/64/19/181746419.db2.gz PSVCTASZPNWESS-UHFFFAOYSA-N 0 0 245.257 3.052 10 0 BGAERN Cc1cc(OCc2ccc(F)cc2)ccc1N ZINC000022141789 178212537 /nfs/dbraw/zinc/21/25/37/178212537.db2.gz FSZULHVVCCUHAN-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Nc1ccc(Cl)cc1NC(=O)C1CCCC1 ZINC000022143081 181710004 /nfs/dbraw/zinc/71/00/04/181710004.db2.gz JSQCLXKKJVCGPD-UHFFFAOYSA-N 0 0 238.718 3.051 10 0 BGAERN Nc1ccc(F)cc1OCc1ccc(F)cc1 ZINC000022143181 181712672 /nfs/dbraw/zinc/71/26/72/181712672.db2.gz VTMQKINDFKIUTJ-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN Cc1cccc(NC(=O)Nc2cccc(N)c2)c1 ZINC000022143259 179137314 /nfs/dbraw/zinc/13/73/14/179137314.db2.gz LDMQEIWWWXHBNX-UHFFFAOYSA-N 0 0 241.294 3.221 10 0 BGAERN COc1ccc(OCc2cccc(C)c2)c(N)c1 ZINC000022145646 187591635 /nfs/dbraw/zinc/59/16/35/187591635.db2.gz OICYMFCMVUIHML-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN Cc1cccc(COc2cc(F)ccc2N)c1 ZINC000022148414 179103329 /nfs/dbraw/zinc/10/33/29/179103329.db2.gz KVIMSBVRVBRTJF-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN CCCNc1ncc(Cl)cc1Cl ZINC000022153217 343140470 /nfs/dbraw/zinc/14/04/70/343140470.db2.gz SAOZPRLPUHIFSG-UHFFFAOYSA-N 0 0 205.088 3.210 10 0 BGAERN Cc1ccc(NC(=O)c2cccc(C)c2N)cc1 ZINC000022163652 178753082 /nfs/dbraw/zinc/75/30/82/178753082.db2.gz QOBPYOKLXHHPCK-UHFFFAOYSA-N 0 0 240.306 3.138 10 0 BGAERN Cc1cc(N)ccc1NC(=O)CCC1CCCC1 ZINC000022165156 178105193 /nfs/dbraw/zinc/10/51/93/178105193.db2.gz ZZZOVSGAXWJMDS-UHFFFAOYSA-N 0 0 246.354 3.486 10 0 BGAERN CCN(c1ccccc1)c1ccccc1N ZINC000022170191 169944003 /nfs/dbraw/zinc/94/40/03/169944003.db2.gz GLYXOOONWNKOIE-UHFFFAOYSA-N 0 0 212.296 3.427 10 0 BGAERN Cc1cccc(NC(=O)c2c(C)cccc2N)c1 ZINC000022174894 179141161 /nfs/dbraw/zinc/14/11/61/179141161.db2.gz DTARSTDQDTZPFV-UHFFFAOYSA-N 0 0 240.306 3.138 10 0 BGAERN CC(=O)c1ccc(-c2ccc(C=O)o2)s1 ZINC000022201138 538936358 /nfs/dbraw/zinc/93/63/58/538936358.db2.gz VHBLBZYGAWYXRO-UHFFFAOYSA-N 0 0 220.249 3.023 10 0 BGAERN CC(=O)c1ccc(-c2ccc(C=O)s2)s1 ZINC000022201142 538936329 /nfs/dbraw/zinc/93/63/29/538936329.db2.gz UOSKEPMNJRWJFX-UHFFFAOYSA-N 0 0 236.317 3.492 10 0 BGAERN Cc1nc2c(ccc3ncccc23)s1 ZINC000022205239 180070712 /nfs/dbraw/zinc/07/07/12/180070712.db2.gz SHLOKKHUTIHTSD-UHFFFAOYSA-N 0 0 200.266 3.153 10 0 BGAERN Nc1cccc(NC(=O)CCC2CCCC2)c1 ZINC000022209877 181745628 /nfs/dbraw/zinc/74/56/28/181745628.db2.gz FJGBQIYOZMJHJR-UHFFFAOYSA-N 0 0 232.327 3.178 10 0 BGAERN COc1ccc(N)cc1OCc1ccc(C)cc1 ZINC000022218491 175138428 /nfs/dbraw/zinc/13/84/28/175138428.db2.gz LIGXTQXAXYDWMQ-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN Brc1ccc2oc([C@@H]3CO3)cc2c1 ZINC000022222144 166099066 /nfs/dbraw/zinc/09/90/66/166099066.db2.gz AJSUIRLJDMPOCZ-JTQLQIEISA-N 0 0 239.068 3.267 10 0 BGAERN Brc1ccc2oc([C@H]3CO3)cc2c1 ZINC000022222146 166100347 /nfs/dbraw/zinc/10/03/47/166100347.db2.gz AJSUIRLJDMPOCZ-SNVBAGLBSA-N 0 0 239.068 3.267 10 0 BGAERN COc1ccc(N)cc1OCc1cccc(C)c1 ZINC000022222693 175138707 /nfs/dbraw/zinc/13/87/07/175138707.db2.gz QPSVBZQIJPUHLG-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN Cc1cccc(O[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000023071960 179174500 /nfs/dbraw/zinc/17/45/00/179174500.db2.gz IYRAQXRVMVVGEP-CZUORRHYSA-N 0 0 241.334 3.462 10 0 BGAERN Cc1cccc(O[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000023071962 179175076 /nfs/dbraw/zinc/17/50/76/179175076.db2.gz IYRAQXRVMVVGEP-CJNGLKHVSA-N 0 0 241.334 3.462 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)s2)o1 ZINC000023305524 397978816 /nfs/dbraw/zinc/97/88/16/397978816.db2.gz QRAGHSIJQBGMKK-SNVBAGLBSA-N 0 0 249.335 3.449 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)c2ccc(C)s2)o1 ZINC000023305526 178886878 /nfs/dbraw/zinc/88/68/78/178886878.db2.gz QRAGHSIJQBGMKK-JTQLQIEISA-N 0 0 249.335 3.449 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(F)c2)o1 ZINC000023305588 178837348 /nfs/dbraw/zinc/83/73/48/178837348.db2.gz GBUPBDMVTSPYCD-SNVBAGLBSA-N 0 0 247.269 3.218 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)c2cccc(F)c2)o1 ZINC000023305590 178886406 /nfs/dbraw/zinc/88/64/06/178886406.db2.gz GBUPBDMVTSPYCD-JTQLQIEISA-N 0 0 247.269 3.218 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(C)c2)o1 ZINC000023305664 367992916 /nfs/dbraw/zinc/99/29/16/367992916.db2.gz CLJHLDUHIASDSH-GFCCVEGCSA-N 0 0 243.306 3.387 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)c2cccc(C)c2)o1 ZINC000023305666 367992572 /nfs/dbraw/zinc/99/25/72/367992572.db2.gz CLJHLDUHIASDSH-LBPRGKRZSA-N 0 0 243.306 3.387 10 0 BGAERN C/C=C/C=C/C(=O)N[C@@H](C)c1ccccc1C ZINC000023980387 343068219 /nfs/dbraw/zinc/06/82/19/343068219.db2.gz VNPKBLOOYZMHTR-WNVSFUKWSA-N 0 0 229.323 3.305 10 0 BGAERN COc1c(Cl)cc(C(C)=O)cc1Cl ZINC000024549979 343946233 /nfs/dbraw/zinc/94/62/33/343946233.db2.gz LOVTYJVFDHMSKW-UHFFFAOYSA-N 0 0 219.067 3.205 10 0 BGAERN c1ccc(Nc2nc3cnccc3s2)cc1 ZINC000024974946 384837798 /nfs/dbraw/zinc/83/77/98/384837798.db2.gz UJCNKYFPVLVTIO-UHFFFAOYSA-N 0 0 227.292 3.435 10 0 BGAERN CC1CCC(NC(=O)NCc2ccccc2)CC1 ZINC000025055688 350836375 /nfs/dbraw/zinc/83/63/75/350836375.db2.gz XIIORWSZODZZKW-UHFFFAOYSA-N 0 0 246.354 3.065 10 0 BGAERN Cc1cccc(/C=C2\c3ccccc3NC2=O)c1 ZINC000025426366 179002906 /nfs/dbraw/zinc/00/29/06/179002906.db2.gz CCHLITSRDLDDTA-GXDHUFHOSA-N 0 0 235.286 3.488 10 0 BGAERN c1ccc([C@@H]2OCc3ccccc3O2)cc1 ZINC000025490766 183429130 /nfs/dbraw/zinc/42/91/30/183429130.db2.gz CIUSLQZWGMTUEG-CQSZACIVSA-N 0 0 212.248 3.294 10 0 BGAERN c1ccc([C@H]2OCc3ccccc3O2)cc1 ZINC000025490770 384851055 /nfs/dbraw/zinc/85/10/55/384851055.db2.gz CIUSLQZWGMTUEG-AWEZNQCLSA-N 0 0 212.248 3.294 10 0 BGAERN CCCCCCc1c(N)nc(C)nc1Cl ZINC000025491558 487840678 /nfs/dbraw/zinc/84/06/78/487840678.db2.gz DUZHGJDTZVOGAW-UHFFFAOYSA-N 0 0 227.739 3.143 10 0 BGAERN C[C@H]1Cc2ccccc2N1C(=O)c1ccsc1 ZINC000025714232 177390638 /nfs/dbraw/zinc/39/06/38/177390638.db2.gz AEMJZTUSBRCLSL-JTQLQIEISA-N 0 0 243.331 3.340 10 0 BGAERN Oc1cc2c(cc1Sc1ccccc1)OCC2 ZINC000025972324 183262912 /nfs/dbraw/zinc/26/29/12/183262912.db2.gz MWFNSWRXQDPKQQ-UHFFFAOYSA-N 0 0 244.315 3.478 10 0 BGAERN Oc1cccc(C2=CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000025974451 183288020 /nfs/dbraw/zinc/28/80/20/183288020.db2.gz UTPPZLWOQNHIMZ-OAHLLOKOSA-N 0 0 229.323 3.034 10 0 BGAERN Oc1cccc(C2=CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000025974459 183287958 /nfs/dbraw/zinc/28/79/58/183287958.db2.gz UTPPZLWOQNHIMZ-HNNXBMFYSA-N 0 0 229.323 3.034 10 0 BGAERN Oc1cc2c(cc1Oc1ccccc1)OCC2 ZINC000025975078 183262878 /nfs/dbraw/zinc/26/28/78/183262878.db2.gz CFKFNPCVGWZCRQ-UHFFFAOYSA-N 0 0 228.247 3.119 10 0 BGAERN c1ccc(N2N=NC[C@H]2c2ccccn2)cc1 ZINC000026164163 384868392 /nfs/dbraw/zinc/86/83/92/384868392.db2.gz QFESCNZVZTUQFD-ZDUSSCGKSA-N 0 0 224.267 3.010 10 0 BGAERN c1ccc(N2N=NC[C@@H]2c2ccccn2)cc1 ZINC000026164171 384867654 /nfs/dbraw/zinc/86/76/54/384867654.db2.gz QFESCNZVZTUQFD-CYBMUJFWSA-N 0 0 224.267 3.010 10 0 BGAERN c1ccc(N2N=NC[C@H]2c2cccnc2)cc1 ZINC000026164178 384553129 /nfs/dbraw/zinc/55/31/29/384553129.db2.gz QWOBGUWZAPTLJB-ZDUSSCGKSA-N 0 0 224.267 3.010 10 0 BGAERN c1ccc(N2N=NC[C@@H]2c2cccnc2)cc1 ZINC000026164185 183416038 /nfs/dbraw/zinc/41/60/38/183416038.db2.gz QWOBGUWZAPTLJB-CYBMUJFWSA-N 0 0 224.267 3.010 10 0 BGAERN Fc1ccc(N2N=NC[C@@H]2c2ccncc2)cc1 ZINC000026165415 344128590 /nfs/dbraw/zinc/12/85/90/344128590.db2.gz PMQDTQNGTICGAV-CYBMUJFWSA-N 0 0 242.257 3.149 10 0 BGAERN Fc1ccc(N2N=NC[C@H]2c2ccncc2)cc1 ZINC000026165420 344128629 /nfs/dbraw/zinc/12/86/29/344128629.db2.gz PMQDTQNGTICGAV-ZDUSSCGKSA-N 0 0 242.257 3.149 10 0 BGAERN Fc1ccc(-n2nncc2-c2ccccc2)cc1 ZINC000026170446 344128610 /nfs/dbraw/zinc/12/86/10/344128610.db2.gz FTRPGKQADBFITM-UHFFFAOYSA-N 0 0 239.253 3.073 10 0 BGAERN CCn1nc(C)c2cc3c(C)nn(CC)c3cc21 ZINC000026170673 172249431 /nfs/dbraw/zinc/24/94/31/172249431.db2.gz QVHWUSWEOVUURJ-UHFFFAOYSA-N 0 0 242.326 3.043 10 0 BGAERN Cc1ccc2c(c1)[S@](=O)c1ccccc1O2 ZINC000026184534 344129636 /nfs/dbraw/zinc/12/96/36/344129636.db2.gz OXGBYRMYNIZJMU-INIZCTEOSA-N 0 0 230.288 3.267 10 0 BGAERN Cc1ccc2c(c1)[S@@](=O)c1ccccc1O2 ZINC000026184538 344129913 /nfs/dbraw/zinc/12/99/13/344129913.db2.gz OXGBYRMYNIZJMU-MRXNPFEDSA-N 0 0 230.288 3.267 10 0 BGAERN Cc1ccc2c(c1)Oc1ccccc1[S@@]2=O ZINC000026184543 344129561 /nfs/dbraw/zinc/12/95/61/344129561.db2.gz VQVLXQAMBKJBPL-MRXNPFEDSA-N 0 0 230.288 3.267 10 0 BGAERN Cc1ccc2c(c1)Oc1ccccc1[S@]2=O ZINC000026184547 344129778 /nfs/dbraw/zinc/12/97/78/344129778.db2.gz VQVLXQAMBKJBPL-INIZCTEOSA-N 0 0 230.288 3.267 10 0 BGAERN CC(=O)Nc1ccc2c(c1)[nH]c1c2CCCC1 ZINC000026186738 344129713 /nfs/dbraw/zinc/12/97/13/344129713.db2.gz RCSXBWXDVVIQBB-UHFFFAOYSA-N 0 0 228.295 3.005 10 0 BGAERN c1cc(-c2cnc3ccccc3n2)cs1 ZINC000026261017 183459097 /nfs/dbraw/zinc/45/90/97/183459097.db2.gz OIIHPHVWOVVWHF-UHFFFAOYSA-N 0 0 212.277 3.358 10 0 BGAERN Oc1ccc(-c2cncc(Cl)c2)cc1 ZINC000026275348 183264549 /nfs/dbraw/zinc/26/45/49/183264549.db2.gz OMDRSACTKDDWFF-UHFFFAOYSA-N 0 0 205.644 3.108 10 0 BGAERN Cc1ccc(O)c2nc(-c3ccccc3)[nH]c21 ZINC000026276503 384586656 /nfs/dbraw/zinc/58/66/56/384586656.db2.gz 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177323606 /nfs/dbraw/zinc/32/36/06/177323606.db2.gz UVZIQHQSQAMQMA-WDEREUQCSA-N 0 0 227.311 3.315 10 0 BGAERN C[C@@H]1C[C@H](C)n2nc(-c3ccccc3)cc2N1 ZINC000026442620 177320967 /nfs/dbraw/zinc/32/09/67/177320967.db2.gz UVZIQHQSQAMQMA-MNOVXSKESA-N 0 0 227.311 3.315 10 0 BGAERN C[C@H]1C[C@H](C)n2nc(-c3ccccc3)cc2N1 ZINC000026442621 177360663 /nfs/dbraw/zinc/36/06/63/177360663.db2.gz UVZIQHQSQAMQMA-QWRGUYRKSA-N 0 0 227.311 3.315 10 0 BGAERN O=[S@@](C=C(Cl)Cl)c1ccccc1 ZINC000026442917 182961615 /nfs/dbraw/zinc/96/16/15/182961615.db2.gz JMHNKUSRXAEULY-GFCCVEGCSA-N 0 0 221.108 3.071 10 0 BGAERN CC(C)(C)c1cc(=S)[nH]c(N2CCCC2)n1 ZINC000026443743 188082364 /nfs/dbraw/zinc/08/23/64/188082364.db2.gz MFPUJIAGQHLSGK-UHFFFAOYSA-N 0 0 237.372 3.037 10 0 BGAERN Cc1ccc(-c2cnc3n2CCC3)cc1C ZINC000026443881 178329203 /nfs/dbraw/zinc/32/92/03/178329203.db2.gz QNYRRTFALNDGMN-UHFFFAOYSA-N 0 0 212.296 3.113 10 0 BGAERN CC(C)(C)c1nc(Cl)cnc1Cl ZINC000026459926 188254931 /nfs/dbraw/zinc/25/49/31/188254931.db2.gz 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/nfs/dbraw/zinc/08/97/49/175089749.db2.gz HITFRMWXCPNROA-UHFFFAOYSA-N 0 0 248.351 3.187 10 0 BGAERN S=c1[nH]ccn1CCCc1ccccc1 ZINC000026502175 183315334 /nfs/dbraw/zinc/31/53/34/183315334.db2.gz AZIJNFYCGXLNJT-UHFFFAOYSA-N 0 0 218.325 3.178 10 0 BGAERN CC1(C)N=Nc2c(cnc3ccccc32)N1 ZINC000026502777 187493711 /nfs/dbraw/zinc/49/37/11/187493711.db2.gz BJDADNMWQXQSAI-UHFFFAOYSA-N 0 0 212.256 3.480 10 0 BGAERN Oc1ccc(CCCCn2cc[nH]c2=S)cc1 ZINC000026503386 183268545 /nfs/dbraw/zinc/26/85/45/183268545.db2.gz MHGCNYZQMMAZMH-UHFFFAOYSA-N 0 0 248.351 3.274 10 0 BGAERN O=Cc1ccnc(-c2ccc3ccccc3c2)n1 ZINC000026506053 182873377 /nfs/dbraw/zinc/87/33/77/182873377.db2.gz NBYAGPFTFUTGQC-UHFFFAOYSA-N 0 0 234.258 3.109 10 0 BGAERN CCCC[C@@H]1CNc2cc(N)ccc2S1 ZINC000026509636 168976258 /nfs/dbraw/zinc/97/62/58/168976258.db2.gz UFJFKIHIMYNPQH-SNVBAGLBSA-N 0 0 222.357 3.345 10 0 BGAERN CCCC[C@H]1CNc2cc(N)ccc2S1 ZINC000026509639 169013787 /nfs/dbraw/zinc/01/37/87/169013787.db2.gz UFJFKIHIMYNPQH-JTQLQIEISA-N 0 0 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Cc1cccc(C)c1-n1cc[nH]c1=S ZINC000026513650 179028796 /nfs/dbraw/zinc/02/87/96/179028796.db2.gz SDODQNCFRUBDJB-UHFFFAOYSA-N 0 0 204.298 3.152 10 0 BGAERN Fc1cccc(F)c1NCc1ccco1 ZINC000026513827 181001095 /nfs/dbraw/zinc/00/10/95/181001095.db2.gz BVGQKLZSUYYDBQ-UHFFFAOYSA-N 0 0 209.195 3.170 10 0 BGAERN Nc1cc(Cl)ccc1NC1CCCC1 ZINC000026513931 357164925 /nfs/dbraw/zinc/16/49/25/357164925.db2.gz DASCMBZVYKULEA-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN Nc1ccc(NC2CCCC2)c(Cl)c1 ZINC000026513933 363538158 /nfs/dbraw/zinc/53/81/58/363538158.db2.gz LNLNCBACNQOKIO-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN Cc1ccc(F)c(N[C@@H]2CCSC2)c1 ZINC000026513955 343106417 /nfs/dbraw/zinc/10/64/17/343106417.db2.gz MITXLOCATSETTE-SECBINFHSA-N 0 0 211.305 3.052 10 0 BGAERN Cc1ccc(F)c(N[C@H]2CCSC2)c1 ZINC000026513957 343106371 /nfs/dbraw/zinc/10/63/71/343106371.db2.gz MITXLOCATSETTE-VIFPVBQESA-N 0 0 211.305 3.052 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc(N)cc1Cl ZINC000026514057 357164897 /nfs/dbraw/zinc/16/48/97/357164897.db2.gz YORLKWODCSDFPZ-MRVPVSSYSA-N 0 0 212.724 3.379 10 0 BGAERN CC(C)[C@H](C)Nc1ccc(N)cc1Cl ZINC000026514059 357164833 /nfs/dbraw/zinc/16/48/33/357164833.db2.gz YORLKWODCSDFPZ-QMMMGPOBSA-N 0 0 212.724 3.379 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc(Cl)cc1N ZINC000026514061 357164841 /nfs/dbraw/zinc/16/48/41/357164841.db2.gz YFEPPPFRIUZCPA-MRVPVSSYSA-N 0 0 212.724 3.379 10 0 BGAERN CC(C)[C@H](C)Nc1ccc(Cl)cc1N ZINC000026514063 357164902 /nfs/dbraw/zinc/16/49/02/357164902.db2.gz YFEPPPFRIUZCPA-QMMMGPOBSA-N 0 0 212.724 3.379 10 0 BGAERN Cc1cc([C@@H](C)Nc2cccnc2)c(C)o1 ZINC000026514412 178233797 /nfs/dbraw/zinc/23/37/97/178233797.db2.gz NHPVYZXDDRWRFJ-SNVBAGLBSA-N 0 0 216.284 3.465 10 0 BGAERN Cc1cc([C@H](C)Nc2cccnc2)c(C)o1 ZINC000026514414 178259647 /nfs/dbraw/zinc/25/96/47/178259647.db2.gz NHPVYZXDDRWRFJ-JTQLQIEISA-N 0 0 216.284 3.465 10 0 BGAERN Oc1ccc(-c2nc3c(s2)CCC3)cc1 ZINC000026514526 183265747 /nfs/dbraw/zinc/26/57/47/183265747.db2.gz 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/nfs/dbraw/zinc/33/86/06/178338606.db2.gz CBXJGXIEAVRMRA-UHFFFAOYSA-N 0 0 223.279 3.242 10 0 BGAERN CC[C@@H](C)c1ccc([C@@H](O)Cn2ccnc2)cc1 ZINC000027857922 384224693 /nfs/dbraw/zinc/22/46/93/384224693.db2.gz QVEXUODERTZIDY-DOMZBBRYSA-N 0 0 244.338 3.130 10 0 BGAERN CC[C@H](C)c1ccc([C@@H](O)Cn2ccnc2)cc1 ZINC000027857929 384223150 /nfs/dbraw/zinc/22/31/50/384223150.db2.gz QVEXUODERTZIDY-WFASDCNBSA-N 0 0 244.338 3.130 10 0 BGAERN CC[C@@H](C)c1ccc([C@H](O)Cn2ccnc2)cc1 ZINC000027857937 384222668 /nfs/dbraw/zinc/22/26/68/384222668.db2.gz QVEXUODERTZIDY-IUODEOHRSA-N 0 0 244.338 3.130 10 0 BGAERN CC[C@H](C)c1ccc([C@H](O)Cn2ccnc2)cc1 ZINC000027857944 384224709 /nfs/dbraw/zinc/22/47/09/384224709.db2.gz QVEXUODERTZIDY-SWLSCSKDSA-N 0 0 244.338 3.130 10 0 BGAERN CCc1ccc(-c2nc3cc(C)ccc3[nH]2)nc1 ZINC000027866602 344314405 /nfs/dbraw/zinc/31/44/05/344314405.db2.gz RMABSJWHRITAHV-UHFFFAOYSA-N 0 0 237.306 3.496 10 0 BGAERN Fc1cccc(Cc2ccc[nH]c2=S)c1 ZINC000027876495 180999608 /nfs/dbraw/zinc/99/96/08/180999608.db2.gz BTXRYUDGIQUZHE-UHFFFAOYSA-N 0 0 219.284 3.474 10 0 BGAERN S=c1[nH]cccc1Cc1ccccc1 ZINC000027876951 183315344 /nfs/dbraw/zinc/31/53/44/183315344.db2.gz QDILPPWTZBEZMH-UHFFFAOYSA-N 0 0 201.294 3.335 10 0 BGAERN Oc1ccccc1Nc1ncnc2ccccc21 ZINC000027886508 183303469 /nfs/dbraw/zinc/30/34/69/183303469.db2.gz SNRBAPJGGIQKIW-UHFFFAOYSA-N 0 0 237.262 3.079 10 0 BGAERN CCNc1cc2c(cn1)[nH]c1ccccc12 ZINC000027886972 344314790 /nfs/dbraw/zinc/31/47/90/344314790.db2.gz AANHPEPPBKKLLX-UHFFFAOYSA-N 0 0 211.268 3.148 10 0 BGAERN CC12[NH2+]C(Cc3ccccc31)Cc1ccccc12 ZINC000027887204 344315101 /nfs/dbraw/zinc/31/51/01/344315101.db2.gz YCFFFJKQZYULSC-UHFFFAOYSA-N 0 0 235.330 3.021 10 0 BGAERN C[C@@]12N[C@@](F)(Cc3ccccc31)c1ccccc12 ZINC000027888304 344314982 /nfs/dbraw/zinc/31/49/82/344314982.db2.gz QWQKTSIJXLQBCC-CVEARBPZSA-N 0 0 239.293 3.232 10 0 BGAERN FC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 ZINC000027889867 344314967 /nfs/dbraw/zinc/31/49/67/344314967.db2.gz 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/nfs/dbraw/zinc/08/00/84/180080084.db2.gz TWCIESBAULZFPJ-UHFFFAOYSA-N 0 0 218.643 3.338 10 0 BGAERN CC(C)/C=C1/C[C@@H](Cc2ccccc2)OC1=O ZINC000028474789 187255816 /nfs/dbraw/zinc/25/58/16/187255816.db2.gz ACXYLMMTNYPGKI-YLHGKKIISA-N 0 0 230.307 3.127 10 0 BGAERN CC(C)/C=C1/C[C@H](Cc2ccccc2)OC1=O ZINC000028474792 343400230 /nfs/dbraw/zinc/40/02/30/343400230.db2.gz ACXYLMMTNYPGKI-MQJVFOOVSA-N 0 0 230.307 3.127 10 0 BGAERN c1ccc(CNc2ccc3nccnc3c2)cc1 ZINC000028568792 183406195 /nfs/dbraw/zinc/40/61/95/183406195.db2.gz JDPFBEWFJSXFAK-UHFFFAOYSA-N 0 0 235.290 3.242 10 0 BGAERN Oc1ccc(-c2nocc3cccc2-3)cc1 ZINC000028569119 183266531 /nfs/dbraw/zinc/26/65/31/183266531.db2.gz GLFBEEUWMDFZGZ-UHFFFAOYSA-N 0 0 211.220 3.152 10 0 BGAERN COCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000028574663 174131979 /nfs/dbraw/zinc/13/19/79/174131979.db2.gz IZHFKATZWYIQGV-LBPRGKRZSA-N 0 0 249.354 3.024 10 0 BGAERN COCCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000028574664 174134312 /nfs/dbraw/zinc/13/43/12/174134312.db2.gz 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CCc1cccc(C(=O)c2ccccc2)c1O ZINC000028760013 384641783 /nfs/dbraw/zinc/64/17/83/384641783.db2.gz SOZBYAGVDSUEON-UHFFFAOYSA-N 0 0 226.275 3.186 10 0 BGAERN CCc1ccc(O)c(C(=O)c2ccc(F)cc2)c1 ZINC000028760602 384641479 /nfs/dbraw/zinc/64/14/79/384641479.db2.gz OAXJLSNUNSFLKN-UHFFFAOYSA-N 0 0 244.265 3.325 10 0 BGAERN CCc1ccc([C@@H](O)c2ccc(F)cc2)c(O)c1 ZINC000028760856 384641173 /nfs/dbraw/zinc/64/11/73/384641173.db2.gz JZQFZQRPKCHMFS-HNNXBMFYSA-N 0 0 246.281 3.175 10 0 BGAERN CCc1ccc([C@H](O)c2ccc(F)cc2)c(O)c1 ZINC000028760857 384640981 /nfs/dbraw/zinc/64/09/81/384640981.db2.gz JZQFZQRPKCHMFS-OAHLLOKOSA-N 0 0 246.281 3.175 10 0 BGAERN CCc1ccc(O)c([C@@H](O)c2ccccc2)c1 ZINC000028761488 384643081 /nfs/dbraw/zinc/64/30/81/384643081.db2.gz JUWQWDKXUMUDFG-HNNXBMFYSA-N 0 0 228.291 3.036 10 0 BGAERN CCc1ccc(O)c([C@H](O)c2ccccc2)c1 ZINC000028761490 384643857 /nfs/dbraw/zinc/64/38/57/384643857.db2.gz JUWQWDKXUMUDFG-OAHLLOKOSA-N 0 0 228.291 3.036 10 0 BGAERN Cc1cc(-c2cc(N)ccc2F)cc(C)n1 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/nfs/dbraw/zinc/04/26/30/179042630.db2.gz XDIZPCIWFUVLFQ-UHFFFAOYSA-N 0 0 241.294 3.342 10 0 BGAERN c1ccc(CCc2nc3ncccc3o2)cc1 ZINC000028815268 183394690 /nfs/dbraw/zinc/39/46/90/183394690.db2.gz HSCQLZLCCLAMDU-UHFFFAOYSA-N 0 0 224.263 3.008 10 0 BGAERN c1ccc(-c2ccc3cccnc3n2)cc1 ZINC000028826013 183379871 /nfs/dbraw/zinc/37/98/71/183379871.db2.gz SKVWGHJCDNDXAG-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 in-vivo BGAERN c1ccc(-c2cc3ncccc3cn2)cc1 ZINC000028826018 183379600 /nfs/dbraw/zinc/37/96/00/183379600.db2.gz MNKQPAXKRYEBQA-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 BGAERN Fc1ccc2[nH]cc(-c3nccs3)c2c1 ZINC000028866225 180984901 /nfs/dbraw/zinc/98/49/01/180984901.db2.gz KGIGBOZMEHVLMU-UHFFFAOYSA-N 0 0 218.256 3.431 10 0 BGAERN Fc1ccc2c(-c3nccs3)c[nH]c2c1 ZINC000028867752 180985170 /nfs/dbraw/zinc/98/51/70/180985170.db2.gz WAWSPOLADDTFCH-UHFFFAOYSA-N 0 0 218.256 3.431 10 0 BGAERN COc1cc(C=O)ccc1Oc1ccccc1 ZINC000028869374 174977061 /nfs/dbraw/zinc/97/70/61/174977061.db2.gz AARAIFZDFDNWOI-UHFFFAOYSA-N 0 0 228.247 3.300 10 0 BGAERN CC(=O)c1ccc2oc3ccc(O)cc3c2c1 ZINC000028873339 166470523 /nfs/dbraw/zinc/47/05/23/166470523.db2.gz PYFVVRGWNYMJHN-UHFFFAOYSA-N 0 0 226.231 3.494 10 0 BGAERN C/C=C/C=C/C(=O)Oc1cccc2cccnc21 ZINC000028954894 188271670 /nfs/dbraw/zinc/27/16/70/188271670.db2.gz VWGLDTUCJAKJHS-KHVHPYDTSA-N 0 0 239.274 3.273 10 0 BGAERN On1c2cc(F)ccc2nc1-c1ccccc1 ZINC000028957117 384976119 /nfs/dbraw/zinc/97/61/19/384976119.db2.gz NENOSIJRCTZYQG-UHFFFAOYSA-N 0 0 228.226 3.080 10 0 BGAERN Oc1cccc(-c2nc3ccccc3o2)c1 ZINC000028964514 183287137 /nfs/dbraw/zinc/28/71/37/183287137.db2.gz QHUYLIOMTFQOSN-UHFFFAOYSA-N 0 0 211.220 3.200 10 0 BGAERN O=C(Cc1cncc(Cl)c1)c1cccs1 ZINC000028975853 182058631 /nfs/dbraw/zinc/05/86/31/182058631.db2.gz HKMXTOFQPPXPPD-UHFFFAOYSA-N 0 0 237.711 3.222 10 0 BGAERN CCNc1nc2ccsc2c(-c2ccco2)n1 ZINC000029048028 170175582 /nfs/dbraw/zinc/17/55/82/170175582.db2.gz ZXENVOVUMSKHIR-UHFFFAOYSA-N 0 0 245.307 3.383 10 0 BGAERN CCc1nc2ccsc2c(-c2nccs2)n1 ZINC000029048169 171940970 /nfs/dbraw/zinc/94/09/70/171940970.db2.gz YNBYJWXOQPYWEM-UHFFFAOYSA-N 0 0 247.348 3.377 10 0 in-vivo BGAERN Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000029062470 188538642 /nfs/dbraw/zinc/53/86/42/188538642.db2.gz PLXFRDQUOPPVHF-UHFFFAOYSA-N 0 0 247.301 3.393 10 0 in-vivo BGAERN O=C1CCc2cc(-c3ccccc3)ccc21 ZINC000029123371 344474538 /nfs/dbraw/zinc/47/45/38/344474538.db2.gz JTRVXIZNCRODHQ-UHFFFAOYSA-N 0 0 208.260 3.483 10 0 BGAERN O=C1CCc2cc(-c3ccc(O)cc3)ccc21 ZINC000029123417 344474500 /nfs/dbraw/zinc/47/45/00/344474500.db2.gz LJUYZMYGKCNPOZ-UHFFFAOYSA-N 0 0 224.259 3.188 10 0 BGAERN COc1ccc(-c2ccc3c(c2)CCC3=O)cc1 ZINC000029123420 175034174 /nfs/dbraw/zinc/03/41/74/175034174.db2.gz BAZLGMNEOSEGMG-UHFFFAOYSA-N 0 0 238.286 3.491 10 0 BGAERN CC(=O)c1ccc(-c2ccc(O)cc2)cc1 ZINC000029123659 388354469 /nfs/dbraw/zinc/35/44/69/388354469.db2.gz DXXRWDCBHNIVBQ-UHFFFAOYSA-N 0 0 212.248 3.262 10 0 BGAERN CN1CCN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000029132687 173095132 /nfs/dbraw/zinc/09/51/32/173095132.db2.gz PHVZEWGFVRMOPG-MRXNPFEDSA-N 0 0 238.334 3.137 10 0 BGAERN O=Cc1ccc(NCc2cccc(Cl)c2)cn1 ZINC000029215483 385034850 /nfs/dbraw/zinc/03/48/50/385034850.db2.gz IJBTZBRKXQQUGO-UHFFFAOYSA-N 0 0 246.697 3.160 10 0 BGAERN c1nc2ccnc(SCc3ccccc3)c2[nH]1 ZINC000029221710 384985255 /nfs/dbraw/zinc/98/52/55/384985255.db2.gz GGWNSGJPHNTMSV-UHFFFAOYSA-N 0 0 241.319 3.250 10 0 BGAERN Cn1c(-c2ccc(O)cc2)cc2ccc(O)cc21 ZINC000029222819 344505441 /nfs/dbraw/zinc/50/54/41/344505441.db2.gz HNQIPIHFDVQSKY-UHFFFAOYSA-N 0 0 239.274 3.257 10 0 BGAERN Oc1ccc(-c2cc3ccc(O)cc3[nH]2)cc1 ZINC000029223077 183264115 /nfs/dbraw/zinc/26/41/15/183264115.db2.gz KMFDEISKPXIGKK-UHFFFAOYSA-N 0 0 225.247 3.246 10 0 BGAERN Oc1ccc(-c2cc3cc(O)ccc3[nH]2)cc1 ZINC000029224738 183264785 /nfs/dbraw/zinc/26/47/85/183264785.db2.gz NMEHVJNIHQLFLW-UHFFFAOYSA-N 0 0 225.247 3.246 10 0 BGAERN Cn1c(-c2ccc(O)cc2)cc2cc(O)ccc21 ZINC000029226001 344507945 /nfs/dbraw/zinc/50/79/45/344507945.db2.gz KTRMZSLUZUTJMT-UHFFFAOYSA-N 0 0 239.274 3.257 10 0 BGAERN O=C1Cc2cccc(C3CCCCC3)c2O1 ZINC000029240791 182788729 /nfs/dbraw/zinc/78/87/29/182788729.db2.gz CPKALYGVOMDMQA-UHFFFAOYSA-N 0 0 216.280 3.196 10 0 BGAERN CC1=C(Cc2ncc[nH]2)CCc2ccccc21 ZINC000029245188 168087718 /nfs/dbraw/zinc/08/77/18/168087718.db2.gz ZDEZZEXVRHVGGC-UHFFFAOYSA-N 0 0 224.307 3.372 10 0 BGAERN C[C@H]1c2ccc(-c3ccccc3)cc2OC1=O ZINC000029247962 176047190 /nfs/dbraw/zinc/04/71/90/176047190.db2.gz BGRPXIUQRHVNHM-JTQLQIEISA-N 0 0 224.259 3.376 10 0 BGAERN O=C1Cc2ccc(C3CCCCC3)cc2O1 ZINC000029248479 344515293 /nfs/dbraw/zinc/51/52/93/344515293.db2.gz ANCFABZMIOVNLL-UHFFFAOYSA-N 0 0 216.280 3.196 10 0 BGAERN O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1 ZINC000029249209 344515265 /nfs/dbraw/zinc/51/52/65/344515265.db2.gz KZLOXVFYEHCEGC-UHFFFAOYSA-N 0 0 244.677 3.469 10 0 BGAERN Cc1c2c(c(C)c(O)c1C)S[C@H](C)O2 ZINC000029317445 177577456 /nfs/dbraw/zinc/57/74/56/177577456.db2.gz JEVCAUPKMUPVEK-MRVPVSSYSA-N 0 0 210.298 3.148 10 0 BGAERN Cc1c2c(c(C)c(O)c1C)S[C@@H](C)O2 ZINC000029317449 177577445 /nfs/dbraw/zinc/57/74/45/177577445.db2.gz JEVCAUPKMUPVEK-QMMMGPOBSA-N 0 0 210.298 3.148 10 0 BGAERN Cc1cc2c(cc1O)CCc1c(C)c(O)ccc1-2 ZINC000029329014 178291911 /nfs/dbraw/zinc/29/19/11/178291911.db2.gz DCNXUQZJVFTNHN-UHFFFAOYSA-N 0 0 240.302 3.480 10 0 BGAERN Cc1cc2c(cc1O)CCc1ccccc1-2 ZINC000029333190 178292095 /nfs/dbraw/zinc/29/20/95/178292095.db2.gz GIDDBSUELVHVTD-UHFFFAOYSA-N 0 0 210.276 3.466 10 0 BGAERN c1c[nH]c(CCc2ccc3ccccc3c2)n1 ZINC000029339773 385263792 /nfs/dbraw/zinc/26/37/92/385263792.db2.gz GNKAJLPLQKZYMH-UHFFFAOYSA-N 0 0 222.291 3.348 10 0 BGAERN COc1cnc(C)c2[nH]c3ccccc3c21 ZINC000029406353 175381462 /nfs/dbraw/zinc/38/14/62/175381462.db2.gz KYXCDOJUFJKHSO-UHFFFAOYSA-N 0 0 212.252 3.033 10 0 BGAERN OCc1ccc(-c2ccc(O)cc2Cl)cc1 ZINC000029412019 183161229 /nfs/dbraw/zinc/16/12/29/183161229.db2.gz ZSIUFUULUHVHHX-UHFFFAOYSA-N 0 0 234.682 3.205 10 0 BGAERN CC(C)(C)c1ccc(-c2nsc(N)n2)cc1 ZINC000029412432 188109855 /nfs/dbraw/zinc/10/98/55/188109855.db2.gz ZNOUBZPJNLZWKP-UHFFFAOYSA-N 0 0 233.340 3.085 10 0 BGAERN CC(=O)Nc1ccc(-c2ccccc2)cc1O ZINC000029476362 344657077 /nfs/dbraw/zinc/65/70/77/344657077.db2.gz USYQPRSFXFKSHI-UHFFFAOYSA-N 0 0 227.263 3.018 10 0 BGAERN COc1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@@H]21 ZINC000029483246 175209928 /nfs/dbraw/zinc/20/99/28/175209928.db2.gz BSMHBSGELIACIM-QMTHXVAHSA-N 0 0 230.307 3.094 10 0 BGAERN CCCCc1c(C)oc(=O)c(CCCC)c1O ZINC000029489103 344657435 /nfs/dbraw/zinc/65/74/35/344657435.db2.gz MFSWAYMHEVPKDU-UHFFFAOYSA-N 0 0 238.327 3.339 10 0 BGAERN C[C@@H](C(=O)c1ccccc1)c1cccnc1 ZINC000029489584 360420203 /nfs/dbraw/zinc/42/02/03/360420203.db2.gz NFHIPZYAYZPXJE-LLVKDONJSA-N 0 0 211.264 3.068 10 0 in-vivo BGAERN C[C@H](C(=O)c1ccccc1)c1cccnc1 ZINC000029489587 344657511 /nfs/dbraw/zinc/65/75/11/344657511.db2.gz NFHIPZYAYZPXJE-NSHDSACASA-N 0 0 211.264 3.068 10 0 in-vivo BGAERN CC(C)[C@@H](C)NC(=O)c1cc2c(cccc2F)[nH]1 ZINC000029508867 167378760 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179106169 /nfs/dbraw/zinc/10/61/69/179106169.db2.gz OFRXLSDZDJBEPN-AWEZNQCLSA-N 0 0 204.313 3.089 10 0 BGAERN CCCNc1ccc(N2CCCC2)cc1 ZINC000032010385 169295258 /nfs/dbraw/zinc/29/52/58/169295258.db2.gz DRTKKQIMVCMXGI-UHFFFAOYSA-N 0 0 204.317 3.109 10 0 BGAERN COc1ccc(N)cc1-c1cccs1 ZINC000032010456 175137914 /nfs/dbraw/zinc/13/79/14/175137914.db2.gz CGAPEYZCXDDLOS-UHFFFAOYSA-N 0 0 205.282 3.006 10 0 BGAERN CCC(=O)c1ccc(N(CC)CC)cc1 ZINC000032010561 168255926 /nfs/dbraw/zinc/25/59/26/168255926.db2.gz AESPEQHQWZKPEW-UHFFFAOYSA-N 0 0 205.301 3.126 10 0 BGAERN CCC(CC)C(=O)c1ccc(N)c(C)c1 ZINC000032010577 168342595 /nfs/dbraw/zinc/34/25/95/168342595.db2.gz PCVIYQFXTSMGQZ-UHFFFAOYSA-N 0 0 205.301 3.196 10 0 BGAERN O=C(Cc1ccccc1F)C1CCCC1 ZINC000032010653 182045196 /nfs/dbraw/zinc/04/51/96/182045196.db2.gz LKIZKOSTRUXGHP-UHFFFAOYSA-N 0 0 206.260 3.128 10 0 BGAERN O=C(Cc1ccc(F)cc1)C1CCCC1 ZINC000032010655 182035542 /nfs/dbraw/zinc/03/55/42/182035542.db2.gz PETVJLOYZVCQFR-UHFFFAOYSA-N 0 0 206.260 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BGAERN COc1ccc(-c2cccc(N)c2)cc1C ZINC000032012819 175035000 /nfs/dbraw/zinc/03/50/00/175035000.db2.gz CDMGJFPOMMFEHK-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN COc1ccc(-c2cccc(N)c2)c(C)c1 ZINC000032012820 175035332 /nfs/dbraw/zinc/03/53/32/175035332.db2.gz COJPOHXIYUIAMR-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN COc1ccc(C)cc1-c1cccc(N)c1 ZINC000032012821 175072167 /nfs/dbraw/zinc/07/21/67/175072167.db2.gz ZKROJHSOXKUEHG-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN COCCNc1c(C)cc(C)cc1Cl ZINC000032012902 174340894 /nfs/dbraw/zinc/34/08/94/174340894.db2.gz AFCWCDBVVVWLTA-UHFFFAOYSA-N 0 0 213.708 3.015 10 0 BGAERN CCNc1ccc(C)c(Br)c1 ZINC000032012903 170173523 /nfs/dbraw/zinc/17/35/23/170173523.db2.gz MECONECVUUYPRX-UHFFFAOYSA-N 0 0 214.106 3.189 10 0 BGAERN COc1ccc(-c2ccc(O)cc2)cc1C ZINC000032012916 175034081 /nfs/dbraw/zinc/03/40/81/175034081.db2.gz SWABNAHHUULZKD-UHFFFAOYSA-N 0 0 214.264 3.376 10 0 BGAERN COc1ccc(-c2ccc(O)cc2)c(C)c1 ZINC000032012917 175034582 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/nfs/dbraw/zinc/29/29/93/183292993.db2.gz SNAHNCDNUXNJMP-UHFFFAOYSA-N 0 0 218.227 3.110 10 0 BGAERN Cc1ccccc1C[C@@H](O)C1CCCCC1 ZINC000032013347 179290065 /nfs/dbraw/zinc/29/00/65/179290065.db2.gz UIUFFOUIPSGXKG-OAHLLOKOSA-N 0 0 218.340 3.479 10 0 BGAERN Cc1ccccc1C[C@H](O)C1CCCCC1 ZINC000032013348 179291879 /nfs/dbraw/zinc/29/18/79/179291879.db2.gz UIUFFOUIPSGXKG-HNNXBMFYSA-N 0 0 218.340 3.479 10 0 BGAERN Cc1cccc(C[C@@H](O)C2CCCCC2)c1 ZINC000032013349 179104933 /nfs/dbraw/zinc/10/49/33/179104933.db2.gz SLYPWQJKIGYCFU-OAHLLOKOSA-N 0 0 218.340 3.479 10 0 BGAERN Cc1cccc(C[C@H](O)C2CCCCC2)c1 ZINC000032013350 179105615 /nfs/dbraw/zinc/10/56/15/179105615.db2.gz SLYPWQJKIGYCFU-HNNXBMFYSA-N 0 0 218.340 3.479 10 0 BGAERN Cc1ccc(C[C@H](O)C2CCCCC2)cc1 ZINC000032013352 178652894 /nfs/dbraw/zinc/65/28/94/178652894.db2.gz JAIUJKKDPGMHFP-HNNXBMFYSA-N 0 0 218.340 3.479 10 0 BGAERN CCCNc1ccc(N2CCCCC2)cc1 ZINC000032013358 169294957 /nfs/dbraw/zinc/29/49/57/169294957.db2.gz IMAJEXPCHFIYRR-UHFFFAOYSA-N 0 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ZINC000032013655 175180769 /nfs/dbraw/zinc/18/07/69/175180769.db2.gz YJBYMICMXPUOAM-AWEZNQCLSA-N 0 0 220.312 3.227 10 0 BGAERN COc1ccc([C@H](O)C2CCCC2)cc1C ZINC000032013656 175193447 /nfs/dbraw/zinc/19/34/47/175193447.db2.gz YJBYMICMXPUOAM-CQSZACIVSA-N 0 0 220.312 3.227 10 0 BGAERN COc1ccc(C)cc1[C@@H](O)C1CCCC1 ZINC000032013657 175080623 /nfs/dbraw/zinc/08/06/23/175080623.db2.gz YYESKMUXMOMGLZ-AWEZNQCLSA-N 0 0 220.312 3.227 10 0 BGAERN COc1ccc(C)cc1[C@H](O)C1CCCC1 ZINC000032013658 175081790 /nfs/dbraw/zinc/08/17/90/175081790.db2.gz YYESKMUXMOMGLZ-CQSZACIVSA-N 0 0 220.312 3.227 10 0 BGAERN O[C@@H](CCOc1ccccc1)C1CCCC1 ZINC000032013699 183173756 /nfs/dbraw/zinc/17/37/56/183173756.db2.gz ZPJGMVSNIIBBIL-AWEZNQCLSA-N 0 0 220.312 3.007 10 0 BGAERN O[C@H](CCOc1ccccc1)C1CCCC1 ZINC000032013700 183219277 /nfs/dbraw/zinc/21/92/77/183219277.db2.gz ZPJGMVSNIIBBIL-CQSZACIVSA-N 0 0 220.312 3.007 10 0 BGAERN O[C@@H](Cc1ccccc1F)C1CCCCC1 ZINC000032014302 183183798 /nfs/dbraw/zinc/18/37/98/183183798.db2.gz RQXRIUWYNXEPJN-AWEZNQCLSA-N 0 0 222.303 3.309 10 0 BGAERN O[C@H](Cc1ccccc1F)C1CCCCC1 ZINC000032014303 183227836 /nfs/dbraw/zinc/22/78/36/183227836.db2.gz RQXRIUWYNXEPJN-CQSZACIVSA-N 0 0 222.303 3.309 10 0 BGAERN O[C@@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000032014304 183183425 /nfs/dbraw/zinc/18/34/25/183183425.db2.gz OKLHRIIHBQIJDQ-AWEZNQCLSA-N 0 0 222.303 3.309 10 0 BGAERN O[C@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000032014305 183227114 /nfs/dbraw/zinc/22/71/14/183227114.db2.gz OKLHRIIHBQIJDQ-CQSZACIVSA-N 0 0 222.303 3.309 10 0 BGAERN O[C@@H](Cc1ccc(F)cc1)C1CCCCC1 ZINC000032014306 183183315 /nfs/dbraw/zinc/18/33/15/183183315.db2.gz ARQFYNTWIFTNBW-AWEZNQCLSA-N 0 0 222.303 3.309 10 0 BGAERN O[C@H](Cc1ccc(F)cc1)C1CCCCC1 ZINC000032014307 183227578 /nfs/dbraw/zinc/22/75/78/183227578.db2.gz ARQFYNTWIFTNBW-CQSZACIVSA-N 0 0 222.303 3.309 10 0 BGAERN Cc1ncc(-c2ccc(Cl)c(N)c2)s1 ZINC000032014895 180121061 /nfs/dbraw/zinc/12/10/61/180121061.db2.gz GVNLQFDDABFFQK-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN O[C@@H](Cc1ccccc1Cl)C1CCCC1 ZINC000032014899 183183015 /nfs/dbraw/zinc/18/30/15/183183015.db2.gz GKCCDDOCOABGKR-ZDUSSCGKSA-N 0 0 224.731 3.434 10 0 BGAERN O[C@H](Cc1ccccc1Cl)C1CCCC1 ZINC000032014900 183227102 /nfs/dbraw/zinc/22/71/02/183227102.db2.gz GKCCDDOCOABGKR-CYBMUJFWSA-N 0 0 224.731 3.434 10 0 BGAERN O[C@@H](Cc1cccc(Cl)c1)C1CCCC1 ZINC000032014901 183183611 /nfs/dbraw/zinc/18/36/11/183183611.db2.gz LMLYVYCLQCADQR-ZDUSSCGKSA-N 0 0 224.731 3.434 10 0 BGAERN O[C@H](Cc1cccc(Cl)c1)C1CCCC1 ZINC000032014902 183227491 /nfs/dbraw/zinc/22/74/91/183227491.db2.gz LMLYVYCLQCADQR-CYBMUJFWSA-N 0 0 224.731 3.434 10 0 BGAERN O[C@@H](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000032014903 183183871 /nfs/dbraw/zinc/18/38/71/183183871.db2.gz YIGYNEKCKWMGAZ-ZDUSSCGKSA-N 0 0 224.731 3.434 10 0 BGAERN O[C@H](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000032014904 183226987 /nfs/dbraw/zinc/22/69/87/183226987.db2.gz YIGYNEKCKWMGAZ-CYBMUJFWSA-N 0 0 224.731 3.434 10 0 BGAERN CCc1ccc(C(=O)c2ccc(N)cc2)cc1 ZINC000032015034 343909756 /nfs/dbraw/zinc/90/97/56/343909756.db2.gz STUSEHMGXDHGKL-UHFFFAOYSA-N 0 0 225.291 3.062 10 0 BGAERN CCc1ccc(C(=O)c2cccc(N)c2)cc1 ZINC000032015035 171788309 /nfs/dbraw/zinc/78/83/09/171788309.db2.gz PTGHDQLHRCUGNL-UHFFFAOYSA-N 0 0 225.291 3.062 10 0 BGAERN Cc1ccc(C)c(C(=O)c2cccc(N)c2)c1 ZINC000032015036 383965062 /nfs/dbraw/zinc/96/50/62/383965062.db2.gz LFGUKAKYAAFGHJ-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN Cc1ccc(C(=O)c2ccc(C)c(N)c2)cc1 ZINC000032015037 188129878 /nfs/dbraw/zinc/12/98/78/188129878.db2.gz HFBGXUTYVAGAQF-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN Cc1ccc(C(=O)c2ccc(N)c(C)c2)cc1 ZINC000032015041 188129295 /nfs/dbraw/zinc/12/92/95/188129295.db2.gz NIVYGZSZQHPEPP-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN Cc1cc(C(=O)c2ccccc2C)ccc1N ZINC000032015042 385000628 /nfs/dbraw/zinc/00/06/28/385000628.db2.gz QFKHMSPSGVVFPL-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN Cc1cccc(C(=O)c2ccc(N)c(C)c2)c1 ZINC000032015043 179027115 /nfs/dbraw/zinc/02/71/15/179027115.db2.gz ZWMVQVSVBXAGNB-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN COc1ccc(-c2ccc(C=O)cc2)c(C)c1 ZINC000032015176 175033068 /nfs/dbraw/zinc/03/30/68/175033068.db2.gz RYUUCKKNWLESRC-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN COc1ccc(-c2cccc(C=O)c2)c(C)c1 ZINC000032015177 175034326 /nfs/dbraw/zinc/03/43/26/175034326.db2.gz NHBIXCILBIFSMJ-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN Cc1ccccc1CN(C)c1cccc(N)c1 ZINC000032015219 179271586 /nfs/dbraw/zinc/27/15/86/179271586.db2.gz GROHQCOLFCEIOK-UHFFFAOYSA-N 0 0 226.323 3.214 10 0 BGAERN Cc1cccc(CN(C)c2cccc(N)c2)c1 ZINC000032015220 179072784 /nfs/dbraw/zinc/07/27/84/179072784.db2.gz FGLRJBQQIDBHSD-UHFFFAOYSA-N 0 0 226.323 3.214 10 0 BGAERN CCN(Cc1ccccc1)c1cccc(N)c1 ZINC000032015222 169916376 /nfs/dbraw/zinc/91/63/76/169916376.db2.gz BACIQIBIIFCPJI-UHFFFAOYSA-N 0 0 226.323 3.295 10 0 BGAERN Cc1ccccc1N(C)Cc1cccc(N)c1 ZINC000032015226 179294115 /nfs/dbraw/zinc/29/41/15/179294115.db2.gz PTABBSFNCHXGOZ-UHFFFAOYSA-N 0 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ZINC000032015413 179103510 /nfs/dbraw/zinc/10/35/10/179103510.db2.gz VOAMCIFIIIOCSK-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN O=C(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000032015536 182042812 /nfs/dbraw/zinc/04/28/12/182042812.db2.gz CCYAIFGVYQADES-UHFFFAOYSA-N 0 0 228.266 3.180 10 0 BGAERN O=C(Cc1ccccc1)Cc1ccccc1F ZINC000032015537 182042721 /nfs/dbraw/zinc/04/27/21/182042721.db2.gz VVOSMBWUOVNUMM-UHFFFAOYSA-N 0 0 228.266 3.180 10 0 BGAERN O=C(Cc1ccccc1)Cc1cccc(F)c1 ZINC000032015538 182043233 /nfs/dbraw/zinc/04/32/33/182043233.db2.gz JBLWSJRKWQIXEM-UHFFFAOYSA-N 0 0 228.266 3.180 10 0 BGAERN Oc1cccc(OCCCc2ccccc2)c1 ZINC000032015541 183293122 /nfs/dbraw/zinc/29/31/22/183293122.db2.gz BOPVGJOCUQPZHD-UHFFFAOYSA-N 0 0 228.291 3.404 10 0 BGAERN CC(C)[C@@H](O)c1ccc(Br)cc1 ZINC000032015729 167459838 /nfs/dbraw/zinc/45/98/38/167459838.db2.gz UDLTYFAHBZOUAE-SNVBAGLBSA-N 0 0 229.117 3.139 10 0 BGAERN CC(C)[C@H](O)c1ccc(Br)cc1 ZINC000032015730 343141962 /nfs/dbraw/zinc/14/19/62/343141962.db2.gz UDLTYFAHBZOUAE-JTQLQIEISA-N 0 0 229.117 3.139 10 0 BGAERN c1cc2c(cc1N1CCCCCC1)NCCC2 ZINC000032015960 183369741 /nfs/dbraw/zinc/36/97/41/183369741.db2.gz JZNMUKGRPQAIIU-UHFFFAOYSA-N 0 0 230.355 3.425 10 0 BGAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000032015985 183183892 /nfs/dbraw/zinc/18/38/92/183183892.db2.gz AFRCKKOMXHKSNI-NSHDSACASA-N 0 0 231.122 3.307 10 0 BGAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000032015986 183227060 /nfs/dbraw/zinc/22/70/60/183227060.db2.gz AFRCKKOMXHKSNI-LLVKDONJSA-N 0 0 231.122 3.307 10 0 BGAERN O[C@@H](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000032015987 183183520 /nfs/dbraw/zinc/18/35/20/183183520.db2.gz OSNRCURWVGFWKV-NSHDSACASA-N 0 0 231.122 3.307 10 0 BGAERN O[C@H](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000032015988 183227684 /nfs/dbraw/zinc/22/76/84/183227684.db2.gz OSNRCURWVGFWKV-LLVKDONJSA-N 0 0 231.122 3.307 10 0 BGAERN Cc1ccc(OCc2ccccc2F)c(N)c1 ZINC000032016027 178816440 /nfs/dbraw/zinc/81/64/40/178816440.db2.gz BSBXSZAEWIOGHS-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN 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/nfs/dbraw/zinc/73/68/29/641736829.db2.gz PGQZPIAFJJHRNP-UHFFFAOYSA-N 0 0 240.350 3.407 10 0 BGAERN CCOC(=O)c1cc2cc(CC)ccc2nc1C ZINC000032099215 170293519 /nfs/dbraw/zinc/29/35/19/170293519.db2.gz ZCSLMAZHOOCIJE-UHFFFAOYSA-N 0 0 243.306 3.282 10 0 BGAERN Cc1cc2c(Cl)ccc(C)c2nc1N ZINC000032099286 178278868 /nfs/dbraw/zinc/27/88/68/178278868.db2.gz SJVVKYIROFSJLL-UHFFFAOYSA-N 0 0 206.676 3.087 10 0 BGAERN Cc1cc2cc(Cl)cc(C)c2nc1N ZINC000032099299 178295969 /nfs/dbraw/zinc/29/59/69/178295969.db2.gz CDMJUYIXQCZWAY-UHFFFAOYSA-N 0 0 206.676 3.087 10 0 BGAERN CCc1cc2cc(Cl)cc(C)c2nc1N ZINC000032099300 343229549 /nfs/dbraw/zinc/22/95/49/343229549.db2.gz YUEBZWVNOBKKQJ-UHFFFAOYSA-N 0 0 220.703 3.341 10 0 BGAERN CCc1cc2cc(Cl)ccc2nc1N ZINC000032099301 343229599 /nfs/dbraw/zinc/22/95/99/343229599.db2.gz NJTYDDZJAATWCC-UHFFFAOYSA-N 0 0 206.676 3.033 10 0 BGAERN Cc1cc2ccc(Cl)c(C)c2nc1N ZINC000032099323 178296244 /nfs/dbraw/zinc/29/62/44/178296244.db2.gz CVYULFVQTYNNPE-UHFFFAOYSA-N 0 0 206.676 3.087 10 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/nfs/dbraw/zinc/10/33/48/178103348.db2.gz XCUPKAXLLOIADH-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN Cc1cc(NN)c2c(Cl)ccc(Cl)c2n1 ZINC000032099488 178175896 /nfs/dbraw/zinc/17/58/96/178175896.db2.gz KSKIYLCSKLBVLR-UHFFFAOYSA-N 0 0 242.109 3.136 10 0 BGAERN Cc1cc(=O)c2cc(Cl)c(Cl)cc2[nH]1 ZINC000032099515 343229597 /nfs/dbraw/zinc/22/95/97/343229597.db2.gz XZAAGMJDSBHAKQ-UHFFFAOYSA-N 0 0 228.078 3.143 10 0 BGAERN Cc1cc(NN)c2ccc(Cl)c(Cl)c2n1 ZINC000032099591 178175919 /nfs/dbraw/zinc/17/59/19/178175919.db2.gz VPWOOQCKNPTBSY-UHFFFAOYSA-N 0 0 242.109 3.136 10 0 BGAERN CCOC(=O)c1cc2cccc(CC)c2nc1C ZINC000032099663 170293735 /nfs/dbraw/zinc/29/37/35/170293735.db2.gz KVVVRICGINAPNV-UHFFFAOYSA-N 0 0 243.306 3.282 10 0 BGAERN CCc1cc2ccc(OC)cc2nc1Cl ZINC000032099714 171776745 /nfs/dbraw/zinc/77/67/45/171776745.db2.gz CENAQQALKXXNEE-UHFFFAOYSA-N 0 0 221.687 3.459 10 0 BGAERN O=c1[nH]c2cc(F)ccc2cc1-c1ccccc1 ZINC000032099766 182972999 /nfs/dbraw/zinc/97/29/99/182972999.db2.gz ACVUVFAPCDCHIR-UHFFFAOYSA-N 0 0 239.249 3.334 10 0 BGAERN Cc1cccc2cc(/C=C/[N+](=O)[O-])c(Cl)nc12 ZINC000032099802 179225911 /nfs/dbraw/zinc/22/59/11/179225911.db2.gz HQGAWPNIBDCSMC-AATRIKPKSA-N 0 0 248.669 3.444 10 0 BGAERN Cc1cc(Br)c2ccc(F)cc2n1 ZINC000032099865 343229526 /nfs/dbraw/zinc/22/95/26/343229526.db2.gz GAPATPYIYKFBSG-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1ccc(CC(=O)Cc2ccc(F)cc2)cc1 ZINC000032100164 187256816 /nfs/dbraw/zinc/25/68/16/187256816.db2.gz DCNVBXTUJOXSCC-UHFFFAOYSA-N 0 0 242.293 3.488 10 0 BGAERN Cc1ccc(CC(=O)Cc2ccccc2F)cc1 ZINC000032100167 187256155 /nfs/dbraw/zinc/25/61/55/187256155.db2.gz GOSNDBOPFVDDMG-UHFFFAOYSA-N 0 0 242.293 3.488 10 0 BGAERN CN(C)c1ccc(NCc2ccc(O)cc2)cc1 ZINC000032100245 343142066 /nfs/dbraw/zinc/14/20/66/343142066.db2.gz CEIWIFBTCBSWIN-UHFFFAOYSA-N 0 0 242.322 3.070 10 0 BGAERN Cc1ccc(N)cc1OCCOc1ccccc1 ZINC000032101161 343141952 /nfs/dbraw/zinc/14/19/52/343141952.db2.gz YZLVVPKSWYUWNJ-UHFFFAOYSA-N 0 0 243.306 3.035 10 0 BGAERN Cc1ccc(OCCOc2ccccc2)cc1N ZINC000032101164 178813078 /nfs/dbraw/zinc/81/30/78/178813078.db2.gz KYKVVULQCXEYGH-UHFFFAOYSA-N 0 0 243.306 3.035 10 0 BGAERN Cc1cc(OCCOc2ccccc2)ccc1N ZINC000032101166 178210569 /nfs/dbraw/zinc/21/05/69/178210569.db2.gz GOOZXOMTRHDXSQ-UHFFFAOYSA-N 0 0 243.306 3.035 10 0 BGAERN OCc1csc(-c2c(F)cccc2Cl)n1 ZINC000032101376 183170462 /nfs/dbraw/zinc/17/04/62/183170462.db2.gz UOZHFUFSDUPZGM-UHFFFAOYSA-N 0 0 243.690 3.095 10 0 BGAERN CCN(Cc1ccccc1F)c1cccc(N)c1 ZINC000032101713 169918893 /nfs/dbraw/zinc/91/88/93/169918893.db2.gz DPBHMUPJHAGWAP-UHFFFAOYSA-N 0 0 244.313 3.434 10 0 BGAERN Cc1ccccc1NC[C@@H](O)c1ccccc1F ZINC000032102088 179304497 /nfs/dbraw/zinc/30/44/97/179304497.db2.gz VTBFRMYSUGXGAN-OAHLLOKOSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1ccccc1NC[C@H](O)c1ccccc1F ZINC000032102091 179304852 /nfs/dbraw/zinc/30/48/52/179304852.db2.gz VTBFRMYSUGXGAN-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1cccc(NC[C@@H](O)c2ccccc2F)c1 ZINC000032102093 179146736 /nfs/dbraw/zinc/14/67/36/179146736.db2.gz SOWCVSNXUWRRKP-OAHLLOKOSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1cccc(NC[C@H](O)c2ccccc2F)c1 ZINC000032102094 179149264 /nfs/dbraw/zinc/14/92/64/179149264.db2.gz SOWCVSNXUWRRKP-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1ccc(NC[C@H](O)c2ccccc2F)cc1 ZINC000032102098 178761418 /nfs/dbraw/zinc/76/14/18/178761418.db2.gz NZZKRLIECJVSCP-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1ccccc1NC[C@@H](O)c1ccc(F)cc1 ZINC000032102100 179304699 /nfs/dbraw/zinc/30/46/99/179304699.db2.gz FFLKIVZSGATWMN-OAHLLOKOSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1ccccc1NC[C@H](O)c1ccc(F)cc1 ZINC000032102102 179304539 /nfs/dbraw/zinc/30/45/39/179304539.db2.gz FFLKIVZSGATWMN-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1cccc(NC[C@@H](O)c2ccc(F)cc2)c1 ZINC000032102104 179146137 /nfs/dbraw/zinc/14/61/37/179146137.db2.gz ACNJTVIDLLBUON-OAHLLOKOSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1cccc(NC[C@H](O)c2ccc(F)cc2)c1 ZINC000032102106 179148402 /nfs/dbraw/zinc/14/84/02/179148402.db2.gz ACNJTVIDLLBUON-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Nc1ccc(SCCOc2ccccc2)cc1 ZINC000032102231 187256601 /nfs/dbraw/zinc/25/66/01/187256601.db2.gz NEZHCBVBNVSEKH-UHFFFAOYSA-N 0 0 245.347 3.440 10 0 BGAERN Cc1c(N)cccc1C(=O)c1ccc(Cl)cc1 ZINC000032102302 177613134 /nfs/dbraw/zinc/61/31/34/177613134.db2.gz BNCJTMZAEBHDBA-UHFFFAOYSA-N 0 0 245.709 3.462 10 0 BGAERN O=C(Cc1ccc(F)cc1)Cc1ccccc1F ZINC000032102362 182035493 /nfs/dbraw/zinc/03/54/93/182035493.db2.gz BVTOLDBTJZUFLF-UHFFFAOYSA-N 0 0 246.256 3.319 10 0 BGAERN O=C(Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000032102364 182035514 /nfs/dbraw/zinc/03/55/14/182035514.db2.gz MWPAHGQDSDHUNC-UHFFFAOYSA-N 0 0 246.256 3.319 10 0 BGAERN O=C(Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000032102365 182036210 /nfs/dbraw/zinc/03/62/10/182036210.db2.gz BPARIXKHXBXFHU-UHFFFAOYSA-N 0 0 246.256 3.319 10 0 BGAERN Cc1cccc(O[C@H](C[NH3+])c2cccs2)c1C ZINC000032103073 179174474 /nfs/dbraw/zinc/17/44/74/179174474.db2.gz YUCVTIJJVMABNN-CYBMUJFWSA-N 0 0 247.363 3.444 10 0 BGAERN O[C@@H](CNc1ccccc1Cl)c1ccccc1 ZINC000032103373 183181645 /nfs/dbraw/zinc/18/16/45/183181645.db2.gz INUFPCYQLPCRQH-AWEZNQCLSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@H](CNc1ccccc1Cl)c1ccccc1 ZINC000032103375 183226079 /nfs/dbraw/zinc/22/60/79/183226079.db2.gz INUFPCYQLPCRQH-CQSZACIVSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@@H](CNc1ccc(Cl)cc1)c1ccccc1 ZINC000032103377 183180567 /nfs/dbraw/zinc/18/05/67/183180567.db2.gz ZESKIMSFCAEMQF-AWEZNQCLSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@H](CNc1ccc(Cl)cc1)c1ccccc1 ZINC000032103379 183225506 /nfs/dbraw/zinc/22/55/06/183225506.db2.gz ZESKIMSFCAEMQF-CQSZACIVSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@@H](CNc1ccccc1)c1ccccc1Cl ZINC000032103381 183182376 /nfs/dbraw/zinc/18/23/76/183182376.db2.gz TUIPDKGKKXBFMB-AWEZNQCLSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@H](CNc1ccccc1)c1ccccc1Cl ZINC000032103383 183226507 /nfs/dbraw/zinc/22/65/07/183226507.db2.gz TUIPDKGKKXBFMB-CQSZACIVSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@@H](CNc1ccccc1)c1ccc(Cl)cc1 ZINC000032103389 183182613 /nfs/dbraw/zinc/18/26/13/183182613.db2.gz NVCBYZAHNRTUQH-AWEZNQCLSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@H](CNc1ccccc1)c1ccc(Cl)cc1 ZINC000032103391 183226789 /nfs/dbraw/zinc/22/67/89/183226789.db2.gz NVCBYZAHNRTUQH-CQSZACIVSA-N 0 0 247.725 3.486 10 0 BGAERN O[C@H](c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000032103615 183229515 /nfs/dbraw/zinc/22/95/15/183229515.db2.gz FDKBHULTDHLJOV-HNNXBMFYSA-N 0 0 248.322 3.072 10 0 BGAERN O[C@@H](c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000032103616 183185772 /nfs/dbraw/zinc/18/57/72/183185772.db2.gz FDKBHULTDHLJOV-OAHLLOKOSA-N 0 0 248.322 3.072 10 0 BGAERN CC(C)(C)OC(=O)Nc1ccc2c(c1)NCCC2 ZINC000032103624 343230070 /nfs/dbraw/zinc/23/00/70/343230070.db2.gz SGAUVRNOWPRFTG-UHFFFAOYSA-N 0 0 248.326 3.392 10 0 BGAERN CC[C@@H]1CCCCN1c1ccc(C(N)=S)cc1 ZINC000032104133 132335274 /nfs/dbraw/zinc/33/52/74/132335274.db2.gz JSYUBZOQTQIVMJ-GFCCVEGCSA-N 0 0 248.395 3.090 10 0 BGAERN CC[C@H]1CCCCN1c1ccc(C(N)=S)cc1 ZINC000032104136 132335225 /nfs/dbraw/zinc/33/52/25/132335225.db2.gz JSYUBZOQTQIVMJ-LBPRGKRZSA-N 0 0 248.395 3.090 10 0 BGAERN O[C@@H](CNc1ccccc1F)c1ccccc1F ZINC000032104267 183181849 /nfs/dbraw/zinc/18/18/49/183181849.db2.gz DYPMPDNTSOPZPB-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1ccccc1F)c1ccccc1F ZINC000032104269 183226594 /nfs/dbraw/zinc/22/65/94/183226594.db2.gz DYPMPDNTSOPZPB-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1ccc(F)cc1)c1ccccc1F ZINC000032104272 183180784 /nfs/dbraw/zinc/18/07/84/183180784.db2.gz KMAWLBZXSRMNNB-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1ccc(F)cc1)c1ccccc1F ZINC000032104274 183225528 /nfs/dbraw/zinc/22/55/28/183225528.db2.gz KMAWLBZXSRMNNB-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1cccc(F)c1)c1ccccc1F ZINC000032104276 183182588 /nfs/dbraw/zinc/18/25/88/183182588.db2.gz IHBMCHWRLMHEPL-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1cccc(F)c1)c1ccccc1F ZINC000032104277 183226693 /nfs/dbraw/zinc/22/66/93/183226693.db2.gz IHBMCHWRLMHEPL-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1ccccc1F)c1ccc(F)cc1 ZINC000032104278 183182295 /nfs/dbraw/zinc/18/22/95/183182295.db2.gz MZPFPWKXLSYKTR-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1ccccc1F)c1ccc(F)cc1 ZINC000032104280 183226518 /nfs/dbraw/zinc/22/65/18/183226518.db2.gz MZPFPWKXLSYKTR-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1ccc(F)cc1)c1ccc(F)cc1 ZINC000032104282 183180586 /nfs/dbraw/zinc/18/05/86/183180586.db2.gz FXXUBEXNBIUBMA-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1ccc(F)cc1)c1ccc(F)cc1 ZINC000032104284 183225330 /nfs/dbraw/zinc/22/53/30/183225330.db2.gz FXXUBEXNBIUBMA-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1cccc(F)c1)c1ccc(F)cc1 ZINC000032104285 183181716 /nfs/dbraw/zinc/18/17/16/183181716.db2.gz LDJUDUVPKKWHAP-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1cccc(F)c1)c1ccc(F)cc1 ZINC000032104287 183226223 /nfs/dbraw/zinc/22/62/23/183226223.db2.gz LDJUDUVPKKWHAP-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN c1ccc(COCCNc2ccccc2)cc1 ZINC000032132764 353154408 /nfs/dbraw/zinc/15/44/08/353154408.db2.gz YAOUBSNJEKGSGP-UHFFFAOYSA-N 0 0 227.307 3.315 10 0 BGAERN Cc1ccc(C[C@@H](O)c2ccccc2)cc1 ZINC000032132912 178648279 /nfs/dbraw/zinc/64/82/79/178648279.db2.gz VEWVTOGIDPEULC-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccc(C[C@H](O)c2ccccc2)cc1 ZINC000032132914 353154390 /nfs/dbraw/zinc/15/43/90/353154390.db2.gz VEWVTOGIDPEULC-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN COc1ccccc1Oc1ccccc1O ZINC000032134687 175342878 /nfs/dbraw/zinc/34/28/78/175342878.db2.gz OHMCFTVLHBWELH-UHFFFAOYSA-N 0 0 216.236 3.193 10 0 biogenic,in-vitro BGAERN CC1=CC(=O)O[C@]2(C[C@H](C)CC[C@H]2C(C)C)O1 ZINC000032135989 168092346 /nfs/dbraw/zinc/09/23/46/168092346.db2.gz WEUGLSGCWUMGED-OSMZGAPFSA-N 0 0 238.327 3.252 10 0 BGAERN CC1=CC(=O)O[C@]2(C[C@@H](C)CC[C@H]2C(C)C)O1 ZINC000032135990 168092023 /nfs/dbraw/zinc/09/20/23/168092023.db2.gz WEUGLSGCWUMGED-JKOKRWQUSA-N 0 0 238.327 3.252 10 0 BGAERN CC1=CC(=O)O[C@]2(C[C@H](C)CC[C@@H]2C(C)C)O1 ZINC000032135991 168092127 /nfs/dbraw/zinc/09/21/27/168092127.db2.gz WEUGLSGCWUMGED-QKCSRTOESA-N 0 0 238.327 3.252 10 0 BGAERN C[C@@H]1[C@@H](C(C)(C)C)N1Cc1ccccc1 ZINC000032136191 385135821 /nfs/dbraw/zinc/13/58/21/385135821.db2.gz AOKWXNADPOWMEJ-JZHZUCMVSA-N 0 0 203.329 3.305 10 0 BGAERN C[C@H]1[C@@H](C(C)(C)C)N1Cc1ccccc1 ZINC000032136192 385134680 /nfs/dbraw/zinc/13/46/80/385134680.db2.gz AOKWXNADPOWMEJ-HEIKZBPMSA-N 0 0 203.329 3.305 10 0 BGAERN C[C@@H]1[C@H](C(C)(C)C)N1Cc1ccccc1 ZINC000032136193 350179442 /nfs/dbraw/zinc/17/94/42/350179442.db2.gz AOKWXNADPOWMEJ-HNVBAWDGSA-N 0 0 203.329 3.305 10 0 BGAERN C[C@H]1[C@H](C(C)(C)C)N1Cc1ccccc1 ZINC000032136194 350179585 /nfs/dbraw/zinc/17/95/85/350179585.db2.gz AOKWXNADPOWMEJ-OZDYYWIQSA-N 0 0 203.329 3.305 10 0 BGAERN CCCCCOc1ccccc1C(=O)OC ZINC000032143416 168730488 /nfs/dbraw/zinc/73/04/88/168730488.db2.gz PGMDHIWMVVZDGQ-UHFFFAOYSA-N 0 0 222.284 3.042 10 0 BGAERN C[C@@](O)(Cc1ccc(Cl)cc1)c1ccncc1 ZINC000032146760 345726837 /nfs/dbraw/zinc/72/68/37/345726837.db2.gz NJDDUIYDLFRHLA-CQSZACIVSA-N 0 0 247.725 3.185 10 0 BGAERN C[C@](O)(Cc1ccc(Cl)cc1)c1ccncc1 ZINC000032146764 345726486 /nfs/dbraw/zinc/72/64/86/345726486.db2.gz NJDDUIYDLFRHLA-AWEZNQCLSA-N 0 0 247.725 3.185 10 0 BGAERN COc1ccc(C(=O)C(C)C)c(Cl)c1 ZINC000032147664 372151260 /nfs/dbraw/zinc/15/12/60/372151260.db2.gz WQBXAJKTQQJVTP-UHFFFAOYSA-N 0 0 212.676 3.187 10 0 BGAERN CCCP(=O)(OC(C)C)OC(C)C ZINC000032152986 345727513 /nfs/dbraw/zinc/72/75/13/345727513.db2.gz KAAMDOYZZZYLJJ-UHFFFAOYSA-N 0 0 208.238 3.440 10 0 BGAERN Oc1ccc(-c2ccc(O)c(F)c2)cc1F ZINC000032153068 183264838 /nfs/dbraw/zinc/26/48/38/183264838.db2.gz OXGQXNQNMPUWNP-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN c1ccn(C2C3CC4CC(C3)CC2C4)c1 ZINC000032166428 387537044 /nfs/dbraw/zinc/53/70/44/387537044.db2.gz NKAKMZFOLXTWSK-UHFFFAOYSA-N 0 0 201.313 3.485 10 0 BGAERN CC(C)CC1S[C@H](C)N[C@@H](C)S1 ZINC000032166988 343230746 /nfs/dbraw/zinc/23/07/46/343230746.db2.gz FVPPILNIVWRBNY-HTQZYQBOSA-N 0 0 205.392 3.120 10 0 endogenous,in-man BGAERN CC(C)CC1S[C@@H](C)N[C@H](C)S1 ZINC000032166990 343230518 /nfs/dbraw/zinc/23/05/18/343230518.db2.gz FVPPILNIVWRBNY-YUMQZZPRSA-N 0 0 205.392 3.120 10 0 endogenous,in-man BGAERN CC(C)(C)N1C(=O)[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000032171737 345734310 /nfs/dbraw/zinc/73/43/10/345734310.db2.gz HLNNBVDMNAJDCE-QZDJBMFBSA-N 0 0 247.382 3.212 10 0 BGAERN CC(C)(C)N1C(=O)[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000032171740 345734349 /nfs/dbraw/zinc/73/43/49/345734349.db2.gz HLNNBVDMNAJDCE-OOTZZNJWSA-N 0 0 247.382 3.212 10 0 BGAERN CCC[C@@H]1CC(=O)c2cc(C)ccc2O1 ZINC000032172657 353270593 /nfs/dbraw/zinc/27/05/93/353270593.db2.gz SGYWYBDCNCRLKE-SNVBAGLBSA-N 0 0 204.269 3.129 10 0 BGAERN CCC[C@H]1CC(=O)c2cc(C)ccc2O1 ZINC000032172660 353270147 /nfs/dbraw/zinc/27/01/47/353270147.db2.gz SGYWYBDCNCRLKE-JTQLQIEISA-N 0 0 204.269 3.129 10 0 BGAERN Cc1ccccc1OC(=O)Cc1ccccc1 ZINC000032177067 179308421 /nfs/dbraw/zinc/30/84/21/179308421.db2.gz VYXPPOCLVAOUNF-UHFFFAOYSA-N 0 0 226.275 3.143 10 0 BGAERN FC(F)(F)c1ccnc(C(F)(F)F)c1 ZINC000032189194 350163201 /nfs/dbraw/zinc/16/32/01/350163201.db2.gz NZFDZFJVWFDFQV-UHFFFAOYSA-N 0 0 215.096 3.119 10 0 BGAERN CCCOc1ccc(C(=O)C(C)C)cc1 ZINC000032202653 169317126 /nfs/dbraw/zinc/31/71/26/169317126.db2.gz SNNUAMJUIRMPAL-UHFFFAOYSA-N 0 0 206.285 3.314 10 0 BGAERN C[P@](=O)(c1ccccc1)C1CCCC1 ZINC000032206894 188284166 /nfs/dbraw/zinc/28/41/66/188284166.db2.gz YZMSSMLRCWMYIC-AWEZNQCLSA-N 0 0 208.241 3.247 10 0 BGAERN C[P@@](=O)(c1ccccc1)C1CCCC1 ZINC000032206898 188284229 /nfs/dbraw/zinc/28/42/29/188284229.db2.gz YZMSSMLRCWMYIC-CQSZACIVSA-N 0 0 208.241 3.247 10 0 BGAERN COC(=O)c1cccc(Cc2ccccc2)c1 ZINC000032207316 345751391 /nfs/dbraw/zinc/75/13/91/345751391.db2.gz YKYIGUKALDIXTL-UHFFFAOYSA-N 0 0 226.275 3.064 10 0 BGAERN CC[C@@H](C)COC(C)OC[C@@H](C)CC ZINC000032218739 171289088 /nfs/dbraw/zinc/28/90/88/171289088.db2.gz XJHDPOVDJHTDNK-FOSCPWQOSA-N 0 0 202.338 3.458 10 0 BGAERN COc1ccccc1Nc1ccccc1OC ZINC000032222425 175339858 /nfs/dbraw/zinc/33/98/58/175339858.db2.gz OUPAROZONRLKSV-UHFFFAOYSA-N 0 0 229.279 3.447 10 0 BGAERN S=c1nc2sccn2c(-c2ccccc2)n1 ZINC000032223140 183315212 /nfs/dbraw/zinc/31/52/12/183315212.db2.gz GOGCZQCNWLKZBV-UHFFFAOYSA-N 0 0 245.332 3.187 10 0 BGAERN Clc1ccc(/N=C/c2ccccn2)cc1 ZINC000032224977 345758751 /nfs/dbraw/zinc/75/87/51/345758751.db2.gz UFHVTXSPQOHDHD-OQLLNIDSSA-N 0 0 216.671 3.486 10 0 BGAERN CCOC(=O)CCCCCC[C@@H]1CCCC1=O ZINC000032228852 350198125 /nfs/dbraw/zinc/19/81/25/350198125.db2.gz FNXKYPCEPBQWRZ-GFCCVEGCSA-N 0 0 240.343 3.259 10 0 BGAERN CCOc1c(Cl)c(C)nc(C)c1Cl ZINC000032231813 350157579 /nfs/dbraw/zinc/15/75/79/350157579.db2.gz YCAKOFRZPSUGKF-UHFFFAOYSA-N 0 0 220.099 3.404 10 0 BGAERN OC[C@@H]1c2ccccc2Nc2ccc(F)cc21 ZINC000032233932 345739521 /nfs/dbraw/zinc/73/95/21/345739521.db2.gz NWKGYYZGXHYWIO-GFCCVEGCSA-N 0 0 229.254 3.007 10 0 BGAERN OC[C@H]1c2ccccc2Nc2ccc(F)cc21 ZINC000032233934 345739443 /nfs/dbraw/zinc/73/94/43/345739443.db2.gz NWKGYYZGXHYWIO-LBPRGKRZSA-N 0 0 229.254 3.007 10 0 BGAERN c1ccc2c(c1)Oc1cnccc1S2 ZINC000032235090 345739409 /nfs/dbraw/zinc/73/94/09/345739409.db2.gz HLTVJSOIDKMSPK-UHFFFAOYSA-N 0 0 201.250 3.339 10 0 BGAERN COc1cc2c(Cl)ccnc2cc1F ZINC000032238177 175019664 /nfs/dbraw/zinc/01/96/64/175019664.db2.gz VQQKJOIDUVQMPF-UHFFFAOYSA-N 0 0 211.623 3.036 10 0 BGAERN Oc1c(F)ccc(F)c1OCc1ccccc1 ZINC000032240911 345739761 /nfs/dbraw/zinc/73/97/61/345739761.db2.gz VMBPOJYPPHTJSY-UHFFFAOYSA-N 0 0 236.217 3.249 10 0 BGAERN Cc1cc(OCc2ccccc2)cc(O)c1C=O ZINC000032241364 350157746 /nfs/dbraw/zinc/15/77/46/350157746.db2.gz UOBCZDODQRBPGI-UHFFFAOYSA-N 0 0 242.274 3.092 10 0 BGAERN CSc1c(F)c(F)c(F)c(F)c1F ZINC000032250307 372168724 /nfs/dbraw/zinc/16/87/24/372168724.db2.gz NBOZXHXBHUVRNG-UHFFFAOYSA-N 0 0 214.158 3.104 10 0 BGAERN Cc1ccccc1C(=S)N1CCCCC1 ZINC000032252935 179253771 /nfs/dbraw/zinc/25/37/71/179253771.db2.gz FQVAVHZMXHGPBX-UHFFFAOYSA-N 0 0 219.353 3.156 10 0 BGAERN CC(=S)N(C)c1nc2ccccc2s1 ZINC000032253778 385140975 /nfs/dbraw/zinc/14/09/75/385140975.db2.gz JFZIBYIZULCJIG-UHFFFAOYSA-N 0 0 222.338 3.080 10 0 BGAERN C[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000032254075 345760494 /nfs/dbraw/zinc/76/04/94/345760494.db2.gz GRHYFGQUSLNRSA-LLVKDONJSA-N 0 0 238.290 3.105 10 0 BGAERN C[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 ZINC000032254076 345760747 /nfs/dbraw/zinc/76/07/47/345760747.db2.gz GRHYFGQUSLNRSA-NSHDSACASA-N 0 0 238.290 3.105 10 0 BGAERN CNc1c2ccccc2nn1-c1ccccc1 ZINC000032254159 385140951 /nfs/dbraw/zinc/14/09/51/385140951.db2.gz WSUDNWUZBWBAIE-UHFFFAOYSA-N 0 0 223.279 3.067 10 0 BGAERN Cc1cc(Cl)ccc1-c1csc(N)n1 ZINC000032254451 178065489 /nfs/dbraw/zinc/06/54/89/178065489.db2.gz SUOXCBSVDPWUHH-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN CCOC(=O)c1cnc2c(C)cc(C)cc2c1 ZINC000032255587 345760196 /nfs/dbraw/zinc/76/01/96/345760196.db2.gz PKYCFJBTJLELEC-UHFFFAOYSA-N 0 0 229.279 3.028 10 0 BGAERN O=c1ccc2ccccc2n1Cc1ccccc1 ZINC000032256888 183000921 /nfs/dbraw/zinc/00/09/21/183000921.db2.gz OKZVGSVWYGCZBL-UHFFFAOYSA-N 0 0 235.286 3.050 10 0 BGAERN CCOC(=O)c1ccnc2cc(Cl)ccc21 ZINC000032256933 170301004 /nfs/dbraw/zinc/30/10/04/170301004.db2.gz WCSFDAOVKJQZAV-UHFFFAOYSA-N 0 0 235.670 3.065 10 0 BGAERN COc1ccc(Cl)c(C)c1Br ZINC000032257225 350196704 /nfs/dbraw/zinc/19/67/04/350196704.db2.gz JPUSSBZEYFBZNR-UHFFFAOYSA-N 0 0 235.508 3.420 10 0 BGAERN Cn1c2ccccc2c2c1[C@@H]1CCCCN1CC2 ZINC000032263998 345760605 /nfs/dbraw/zinc/76/06/05/345760605.db2.gz LMUPITQSBFPIBM-HNNXBMFYSA-N 0 0 240.350 3.261 10 0 BGAERN Cn1c2ccccc2c2c1[C@H]1CCCCN1CC2 ZINC000032263999 345760819 /nfs/dbraw/zinc/76/08/19/345760819.db2.gz LMUPITQSBFPIBM-OAHLLOKOSA-N 0 0 240.350 3.261 10 0 BGAERN COc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000032264357 175040997 /nfs/dbraw/zinc/04/09/97/175040997.db2.gz XWALBVFWCNKGRZ-UHFFFAOYSA-N 0 0 242.200 3.104 10 0 BGAERN COc1ccc2nc3cnccc3c(Cl)c2c1 ZINC000032264726 345760756 /nfs/dbraw/zinc/76/07/56/345760756.db2.gz UMPRTMFPQOFPAT-UHFFFAOYSA-N 0 0 244.681 3.445 10 0 BGAERN COc1cc(C(F)(F)F)c(OC)cc1C ZINC000032298175 372174933 /nfs/dbraw/zinc/17/49/33/372174933.db2.gz FJCAAYMCIPCCFO-UHFFFAOYSA-N 0 0 220.190 3.031 10 0 BGAERN Oc1cc(C(F)(F)F)c(O)cc1C(F)(F)F ZINC000032298181 183257172 /nfs/dbraw/zinc/25/71/72/183257172.db2.gz VJCAQPWYUVNXII-UHFFFAOYSA-N 0 0 246.106 3.135 10 0 BGAERN COc1ccc(/C=C/C(F)(F)F)cc1 ZINC000032298782 350163696 /nfs/dbraw/zinc/16/36/96/350163696.db2.gz SMILDTCRTVKJRM-VOTSOKGWSA-N 0 0 202.175 3.271 10 0 BGAERN Brc1cccc(Cn2cccc2)c1 ZINC000032302794 354381451 /nfs/dbraw/zinc/38/14/51/354381451.db2.gz VVKQTUDPLYRUDS-UHFFFAOYSA-N 0 0 236.112 3.299 10 0 BGAERN CCn1c(Cl)cnc1-c1ccccc1 ZINC000032500033 355422076 /nfs/dbraw/zinc/42/20/76/355422076.db2.gz QNPBASYMZHYHIX-UHFFFAOYSA-N 0 0 206.676 3.223 10 0 BGAERN CCCCc1c/c(=N\O)oc2cc(OC)ccc12 ZINC000032500161 521260227 /nfs/dbraw/zinc/26/02/27/521260227.db2.gz GIOAVCZAQAXAPY-CCEZHUSRSA-N 0 0 247.294 3.074 10 0 BGAERN COc1cc2nc(C)cc(Cl)c2cc1OC ZINC000032500240 175028355 /nfs/dbraw/zinc/02/83/55/175028355.db2.gz RBFMLSFDCICSHW-UHFFFAOYSA-N 0 0 237.686 3.214 10 0 BGAERN Cc1cc(=O)[nH]c2c(Cl)c(Cl)ccc12 ZINC000032500981 355424286 /nfs/dbraw/zinc/42/42/86/355424286.db2.gz KOPBXSFLORDYLY-UHFFFAOYSA-N 0 0 228.078 3.143 10 0 BGAERN Cc1cc(=O)[nH]c2c(Cl)ccc(Cl)c12 ZINC000032500982 355424386 /nfs/dbraw/zinc/42/43/86/355424386.db2.gz VZLCFKLYQPIOQS-UHFFFAOYSA-N 0 0 228.078 3.143 10 0 BGAERN c1ccc(Oc2cccc3c2CCN3)cc1 ZINC000032501101 187256568 /nfs/dbraw/zinc/25/65/68/187256568.db2.gz ZZAZDRQXZYHPCG-UHFFFAOYSA-N 0 0 211.264 3.447 10 0 BGAERN Cc1cccnc1Sc1nc2ccccc2[nH]1 ZINC000032508818 179398322 /nfs/dbraw/zinc/39/83/22/179398322.db2.gz LAYHJGOPHHIVMD-UHFFFAOYSA-N 0 0 241.319 3.418 10 0 BGAERN Cc1ccc2ncnc(NC(C)(C)C)c2c1 ZINC000032540870 350426838 /nfs/dbraw/zinc/42/68/38/350426838.db2.gz OUJYVFNIHYZQIS-UHFFFAOYSA-N 0 0 215.300 3.149 10 0 BGAERN CC(C)c1nc2ccccc2c(NC2CC2)n1 ZINC000032545320 167670028 /nfs/dbraw/zinc/67/00/28/167670028.db2.gz AAAJQCHDJLBTNP-UHFFFAOYSA-N 0 0 227.311 3.328 10 0 BGAERN Nc1ncc(-c2ccc(Cl)cc2Cl)cn1 ZINC000032565225 342838555 /nfs/dbraw/zinc/83/85/55/342838555.db2.gz NUIJHCAUJSWRBN-UHFFFAOYSA-N 0 0 240.093 3.033 10 0 BGAERN Cc1cc(CSc2ccccc2)cnc1N ZINC000032600553 178053504 /nfs/dbraw/zinc/05/35/04/178053504.db2.gz RTEDIAUZVDVJOF-UHFFFAOYSA-N 0 0 230.336 3.265 10 0 BGAERN CCC(=O)Nc1ccnc2ccc(Cl)cc21 ZINC000032605160 168246740 /nfs/dbraw/zinc/24/67/40/168246740.db2.gz SDYNLDOSGMGRJI-UHFFFAOYSA-N 0 0 234.686 3.237 10 0 BGAERN Cc1cc(NC(=O)C(C)C)c2cc(F)ccc2n1 ZINC000032607416 178123626 /nfs/dbraw/zinc/12/36/26/178123626.db2.gz AJTGCONJRRGOIP-UHFFFAOYSA-N 0 0 246.285 3.277 10 0 BGAERN CCC(=O)Nc1cc(C)nc2ccc(F)cc21 ZINC000032607418 168243136 /nfs/dbraw/zinc/24/31/36/168243136.db2.gz NZBMLTOMSORMTE-UHFFFAOYSA-N 0 0 232.258 3.031 10 0 BGAERN O=C(Nc1ccccc1)Nc1cncc(Cl)c1 ZINC000032611070 182375497 /nfs/dbraw/zinc/37/54/97/182375497.db2.gz SOIVLIKSUIOMDA-UHFFFAOYSA-N 0 0 247.685 3.379 10 0 BGAERN COc1ccc(NC2=NCc3ccccc32)cc1 ZINC000032611755 175150071 /nfs/dbraw/zinc/15/00/71/175150071.db2.gz LXLRHKLXQWDTCN-UHFFFAOYSA-N 0 0 238.290 3.068 10 0 BGAERN C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NC(C)(C)C)o1 ZINC000032903727 259311373 /nfs/dbraw/zinc/31/13/73/259311373.db2.gz FWTAGTGGIPEJRB-YPRPKKHFSA-N 0 0 247.338 3.331 10 0 BGAERN CCOC(=O)c1ccc(F)c(C(C)C)c1 ZINC000032914694 170296463 /nfs/dbraw/zinc/29/64/63/170296463.db2.gz BBNAAJVIWBRMAY-UHFFFAOYSA-N 0 0 210.248 3.126 10 0 BGAERN Cc1cccnc1-c1cc(O)ccc1Cl ZINC000032914783 179357562 /nfs/dbraw/zinc/35/75/62/179357562.db2.gz HIVGVSYKIREHMG-UHFFFAOYSA-N 0 0 219.671 3.416 10 0 BGAERN Cc1ccnc(-c2cc(O)ccc2Cl)c1 ZINC000032914787 385190968 /nfs/dbraw/zinc/19/09/68/385190968.db2.gz YTQMRMOPIANYPY-UHFFFAOYSA-N 0 0 219.671 3.416 10 0 BGAERN Cc1ccc(-c2cc(O)ccc2Cl)nc1 ZINC000032914790 178321175 /nfs/dbraw/zinc/32/11/75/178321175.db2.gz NQDFFISMUGKPCF-UHFFFAOYSA-N 0 0 219.671 3.416 10 0 BGAERN Cc1cccc(-c2cc(O)ccc2Cl)n1 ZINC000032914793 343244292 /nfs/dbraw/zinc/24/42/92/343244292.db2.gz GJOVSHYNLQJKPV-UHFFFAOYSA-N 0 0 219.671 3.416 10 0 BGAERN Cn1ccc(-c2nnc(Cl)c3ccccc32)c1 ZINC000032917018 343244012 /nfs/dbraw/zinc/24/40/12/343244012.db2.gz LCRMUZFMZCFANJ-UHFFFAOYSA-N 0 0 243.697 3.289 10 0 BGAERN Cc1cc(-c2n[nH]c(C)c2C)c(C)s1 ZINC000032917208 343244182 /nfs/dbraw/zinc/24/41/82/343244182.db2.gz ZDSWHSUYIOVCRA-UHFFFAOYSA-N 0 0 206.314 3.372 10 0 BGAERN CC(C)c1ccc(/C=C\C(=O)N2CCCC2)cc1 ZINC000033295877 343250723 /nfs/dbraw/zinc/25/07/23/343250723.db2.gz UJHHWYYTIMMDOV-YFHOEESVSA-N 0 0 243.350 3.446 10 0 BGAERN C/C(=C\c1ccccc1)C(=O)Nc1cncs1 ZINC000033297339 188284163 /nfs/dbraw/zinc/28/41/63/188284163.db2.gz OGUHRRRDDPDXLV-JXMROGBWSA-N 0 0 244.319 3.185 10 0 BGAERN CCNC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000033304628 170042401 /nfs/dbraw/zinc/04/24/01/170042401.db2.gz OKCZRTQESPQUDG-XQRVVYSFSA-N 0 0 244.121 3.143 10 0 BGAERN Nc1nc(Br)ccc1-c1ccccc1 ZINC000033305579 344171582 /nfs/dbraw/zinc/17/15/82/344171582.db2.gz RVOFHMPUODSEII-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN CC1CCN(C(=O)/C=C\c2ccc(F)cc2)CC1 ZINC000033313923 168170361 /nfs/dbraw/zinc/17/03/61/168170361.db2.gz HNHJEEWFBVQWDZ-DAXSKMNVSA-N 0 0 247.313 3.097 10 0 BGAERN Cc1ccc(/C=C\C(=O)Nc2ccc(F)cc2)o1 ZINC000033314006 178357831 /nfs/dbraw/zinc/35/78/31/178357831.db2.gz VLYORHNREQTXMS-HJWRWDBZSA-N 0 0 245.253 3.379 10 0 BGAERN Cc1ccc(/C=C\C(=O)NC2CCCCCC2)o1 ZINC000033316649 188284355 /nfs/dbraw/zinc/28/43/55/188284355.db2.gz DICUYQSRPAXRNW-KHPPLWFESA-N 0 0 247.338 3.440 10 0 BGAERN Cc1ccc(/C=C\C(=O)NC2CCCCC2)cc1 ZINC000033320166 188011215 /nfs/dbraw/zinc/01/12/15/188011215.db2.gz MQOPODPYEGJNSL-QXMHVHEDSA-N 0 0 243.350 3.457 10 0 BGAERN Cc1ccc(/C=C\C(=O)NC2CCCC2)cc1 ZINC000033328956 344227354 /nfs/dbraw/zinc/22/73/54/344227354.db2.gz XVWQPLVIMWVUCJ-KHPPLWFESA-N 0 0 229.323 3.067 10 0 BGAERN O=C(N/C=C\c1ccco1)OCc1ccccc1 ZINC000033336245 182076734 /nfs/dbraw/zinc/07/67/34/182076734.db2.gz VBOUZHOUJCXUAA-HJWRWDBZSA-N 0 0 243.262 3.177 10 0 BGAERN O=C(Cc1cccs1)c1ccccc1 ZINC000033364692 182052417 /nfs/dbraw/zinc/05/24/17/182052417.db2.gz PJEUJVLFQCESRL-UHFFFAOYSA-N 0 0 202.278 3.174 10 0 BGAERN O=Nc1c2ccccc2n(O)c1-c1ccccn1 ZINC000033368260 362392463 /nfs/dbraw/zinc/39/24/63/362392463.db2.gz PSFKDFFPEFNYIX-UHFFFAOYSA-N 0 0 239.234 3.339 10 0 BGAERN CCOC(=O)c1coc(/C=C\c2ccccc2)n1 ZINC000033373147 170304307 /nfs/dbraw/zinc/30/43/07/170304307.db2.gz LKUGERMRWPZXRN-HJWRWDBZSA-N 0 0 243.262 3.022 10 0 BGAERN S=c1[nH]c2ccccc2n1CN1CCCCC1 ZINC000033373823 183313226 /nfs/dbraw/zinc/31/32/26/183313226.db2.gz RWRDLPVRTUCDFN-UHFFFAOYSA-N 0 0 247.367 3.142 10 0 BGAERN C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000033400818 176066758 /nfs/dbraw/zinc/06/67/58/176066758.db2.gz UIMAWPSUTFCVGO-MQGYJPLLSA-N 0 0 247.313 3.240 10 0 BGAERN C[C@H]1CCCCN1C(=O)/C=C\c1ccc(F)cc1 ZINC000033400820 177071938 /nfs/dbraw/zinc/07/19/38/177071938.db2.gz UIMAWPSUTFCVGO-UMAGTOLTSA-N 0 0 247.313 3.240 10 0 BGAERN Cc1cccc(-c2cc3ccccc3c(N)n2)n1 ZINC000033407901 178993698 /nfs/dbraw/zinc/99/36/98/178993698.db2.gz XUCWSKLLBMCMOY-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN O=Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000033420336 387105659 /nfs/dbraw/zinc/10/56/59/387105659.db2.gz IBXJJTCCXPALNG-UHFFFAOYSA-N 0 0 223.231 3.307 10 0 BGAERN O=Cc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000033420342 182870703 /nfs/dbraw/zinc/87/07/03/182870703.db2.gz JLZABZPCHHCLDD-UHFFFAOYSA-N 0 0 241.221 3.446 10 0 BGAERN Nc1ccc(-c2nc3cc(F)ccc3o2)cc1 ZINC000033420423 181695874 /nfs/dbraw/zinc/69/58/74/181695874.db2.gz ROHYHFSVDNXIGC-UHFFFAOYSA-N 0 0 228.226 3.216 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2cccc(N)c2)C1 ZINC000033421334 176124843 /nfs/dbraw/zinc/12/48/43/176124843.db2.gz MAILLSMVRUCRGV-ZYHUDNBSSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2cccc(N)c2)C1 ZINC000033421335 177123377 /nfs/dbraw/zinc/12/33/77/177123377.db2.gz MAILLSMVRUCRGV-CMPLNLGQSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2cccc(N)c2)C1 ZINC000033421336 176146421 /nfs/dbraw/zinc/14/64/21/176146421.db2.gz MAILLSMVRUCRGV-PWSUYJOCSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@H]1CCC[C@H](Oc2cccc(N)c2)C1 ZINC000033421337 177138998 /nfs/dbraw/zinc/13/89/98/177138998.db2.gz MAILLSMVRUCRGV-JQWIXIFHSA-N 0 0 205.301 3.226 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2cccc(C=O)c2)C1 ZINC000033421427 176125450 /nfs/dbraw/zinc/12/54/50/176125450.db2.gz WYXLWOBOBSLQJQ-DGCLKSJQSA-N 0 0 218.296 3.457 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2cccc(C=O)c2)C1 ZINC000033421428 177123610 /nfs/dbraw/zinc/12/36/10/177123610.db2.gz WYXLWOBOBSLQJQ-WCQYABFASA-N 0 0 218.296 3.457 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2cccc(C=O)c2)C1 ZINC000033421429 176146408 /nfs/dbraw/zinc/14/64/08/176146408.db2.gz WYXLWOBOBSLQJQ-YPMHNXCESA-N 0 0 218.296 3.457 10 0 BGAERN C[C@H]1CCC[C@H](Oc2cccc(C=O)c2)C1 ZINC000033421430 177138844 /nfs/dbraw/zinc/13/88/44/177138844.db2.gz WYXLWOBOBSLQJQ-AAEUAGOBSA-N 0 0 218.296 3.457 10 0 BGAERN Cc1cc(OC2CCCCC2)ccc1N ZINC000033421536 178208802 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/nfs/dbraw/zinc/24/89/35/175248935.db2.gz KIMQTLMWTNXPRJ-WCQYABFASA-N 0 0 248.322 3.465 10 0 BGAERN COc1cccc(C=O)c1O[C@H]1CCC[C@H](C)C1 ZINC000033425660 175248941 /nfs/dbraw/zinc/24/89/41/175248941.db2.gz KIMQTLMWTNXPRJ-AAEUAGOBSA-N 0 0 248.322 3.465 10 0 BGAERN COc1cccc(C=O)c1OC1CCCCC1 ZINC000033425666 175249159 /nfs/dbraw/zinc/24/91/59/175249159.db2.gz SEIIOEUEMJEIFJ-UHFFFAOYSA-N 0 0 234.295 3.219 10 0 BGAERN COc1ccc(C=O)cc1-c1cccs1 ZINC000033427079 175086086 /nfs/dbraw/zinc/08/60/86/175086086.db2.gz DHLPMHXAIYSZFV-UHFFFAOYSA-N 0 0 218.277 3.236 10 0 BGAERN COc1ccc(C=O)cc1-c1cccc(C)c1 ZINC000033427149 175086098 /nfs/dbraw/zinc/08/60/98/175086098.db2.gz BOROFOONEYURMW-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN Cc1ccc(N)c(-c2cccc(C=O)c2)c1 ZINC000033427295 642142178 /nfs/dbraw/zinc/14/21/78/642142178.db2.gz CFICXZMRKAXPHA-UHFFFAOYSA-N 0 0 211.264 3.057 10 0 BGAERN Cc1ccc(N)c(-c2ccc(C=O)cc2)c1 ZINC000033427296 642141861 /nfs/dbraw/zinc/14/18/61/642141861.db2.gz 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COc1ccc(C)cc1-c1ccc(C=O)cc1 ZINC000033427573 175072304 /nfs/dbraw/zinc/07/23/04/175072304.db2.gz IBLSMFRKTFNMLU-UHFFFAOYSA-N 0 0 226.275 3.483 10 0 BGAERN Oc1ccc(-c2ccc(F)c(F)c2F)cc1 ZINC000033427827 183263865 /nfs/dbraw/zinc/26/38/65/183263865.db2.gz RJLQIPDZFYKXNL-UHFFFAOYSA-N 0 0 224.181 3.477 10 0 BGAERN COc1ccc(OC)c(-c2ccc(O)cc2)c1 ZINC000033427998 175163513 /nfs/dbraw/zinc/16/35/13/175163513.db2.gz OQFXFWJDWYSGLZ-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 BGAERN COc1ccc(OC)c(-c2cccc(C=O)c2)c1 ZINC000033427999 175163687 /nfs/dbraw/zinc/16/36/87/175163687.db2.gz CPFJCSLRFAKWGH-UHFFFAOYSA-N 0 0 242.274 3.183 10 0 BGAERN COc1ccc(OC)c(-c2ccc(C=O)cc2)c1 ZINC000033428000 175163627 /nfs/dbraw/zinc/16/36/27/175163627.db2.gz HFRIQZQNKSAJKA-UHFFFAOYSA-N 0 0 242.274 3.183 10 0 BGAERN COc1ccc(-c2ccc(O)cc2)cc1OC ZINC000033428015 175034593 /nfs/dbraw/zinc/03/45/93/175034593.db2.gz NGJMTKOXEAUFRP-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 BGAERN O=Cc1ccc(-c2cnn(-c3ccccc3)c2)cc1 ZINC000033428710 182865138 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KSBONFUMHAHWHO-UHFFFAOYSA-N 0 0 233.094 3.351 10 0 BGAERN CC(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000033464837 187832294 /nfs/dbraw/zinc/83/22/94/187832294.db2.gz DXJXMKIIJSWGRU-UHFFFAOYSA-N 0 0 233.094 3.351 10 0 BGAERN Cc1ccccc1NC[C@@H](O)c1cccs1 ZINC000033464916 179304719 /nfs/dbraw/zinc/30/47/19/179304719.db2.gz ZTVCRUUSXRXIPE-GFCCVEGCSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1ccccc1NC[C@H](O)c1cccs1 ZINC000033464917 179305528 /nfs/dbraw/zinc/30/55/28/179305528.db2.gz ZTVCRUUSXRXIPE-LBPRGKRZSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1cccc(NC[C@@H](O)c2cccs2)c1 ZINC000033464918 179146382 /nfs/dbraw/zinc/14/63/82/179146382.db2.gz YJGPXOAQRSCCLN-GFCCVEGCSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1cccc(NC[C@H](O)c2cccs2)c1 ZINC000033464919 179148096 /nfs/dbraw/zinc/14/80/96/179148096.db2.gz YJGPXOAQRSCCLN-LBPRGKRZSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1ccc(NC[C@@H](O)c2cccs2)cc1 ZINC000033464920 178760269 /nfs/dbraw/zinc/76/02/69/178760269.db2.gz VRWQXTLTNFMRDQ-GFCCVEGCSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1ccc(NC[C@H](O)c2cccs2)cc1 ZINC000033464921 178761148 /nfs/dbraw/zinc/76/11/48/178761148.db2.gz VRWQXTLTNFMRDQ-LBPRGKRZSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1cccc(O[C@H](C[NH3+])c2cccs2)c1 ZINC000033464927 179174487 /nfs/dbraw/zinc/17/44/87/179174487.db2.gz DXEFRJQPEXBJLL-GFCCVEGCSA-N 0 0 233.336 3.135 10 0 BGAERN CC(C)(O)CNc1ccc(Cl)c(Cl)c1 ZINC000033465067 344757697 /nfs/dbraw/zinc/75/76/97/344757697.db2.gz BCENYMBCRWAWHB-UHFFFAOYSA-N 0 0 234.126 3.176 10 0 BGAERN CC(C)(O)CNc1cc(Cl)ccc1Cl ZINC000033465069 344757999 /nfs/dbraw/zinc/75/79/99/344757999.db2.gz SOPGIQMRQYNESM-UHFFFAOYSA-N 0 0 234.126 3.176 10 0 BGAERN Cc1cccc(OCC[C@@H](O)C2CCCC2)c1 ZINC000033465223 179169227 /nfs/dbraw/zinc/16/92/27/179169227.db2.gz ABZPFSPGDCJCEM-OAHLLOKOSA-N 0 0 234.339 3.315 10 0 BGAERN Cc1cccc(OCC[C@H](O)C2CCCC2)c1 ZINC000033465224 179170077 /nfs/dbraw/zinc/17/00/77/179170077.db2.gz ABZPFSPGDCJCEM-HNNXBMFYSA-N 0 0 234.339 3.315 10 0 BGAERN O[C@@H](CCOc1ccccc1)C1CCCCC1 ZINC000033465227 183174426 /nfs/dbraw/zinc/17/44/26/183174426.db2.gz MVPWPQHAKPSFGZ-HNNXBMFYSA-N 0 0 234.339 3.397 10 0 BGAERN O[C@H](CCOc1ccccc1)C1CCCCC1 ZINC000033465228 183218777 /nfs/dbraw/zinc/21/87/77/183218777.db2.gz MVPWPQHAKPSFGZ-OAHLLOKOSA-N 0 0 234.339 3.397 10 0 BGAERN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1N ZINC000033465665 178348151 /nfs/dbraw/zinc/34/81/51/178348151.db2.gz TVDIRAHYGSDPHF-UHFFFAOYSA-N 0 0 235.718 3.033 10 0 BGAERN O[C@@H](CNc1ccccc1F)c1cccs1 ZINC000033465930 183182161 /nfs/dbraw/zinc/18/21/61/183182161.db2.gz ZGOJQFRWSZTCFS-NSHDSACASA-N 0 0 237.299 3.033 10 0 BGAERN O[C@H](CNc1ccccc1F)c1cccs1 ZINC000033465931 183226210 /nfs/dbraw/zinc/22/62/10/183226210.db2.gz ZGOJQFRWSZTCFS-LLVKDONJSA-N 0 0 237.299 3.033 10 0 BGAERN O[C@@H](CNc1ccc(F)cc1)c1cccs1 ZINC000033465932 183180607 /nfs/dbraw/zinc/18/06/07/183180607.db2.gz DJQXJLXQMSPQAS-NSHDSACASA-N 0 0 237.299 3.033 10 0 BGAERN O[C@H](CNc1ccc(F)cc1)c1cccs1 ZINC000033465933 183225599 /nfs/dbraw/zinc/22/55/99/183225599.db2.gz 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180601736 /nfs/dbraw/zinc/60/17/36/180601736.db2.gz YEXWPDCQMCXPLC-UHFFFAOYSA-N 0 0 225.078 3.450 10 0 BGAERN Clc1cccc(-c2cnc(Cl)nc2)c1 ZINC000034103147 343264704 /nfs/dbraw/zinc/26/47/04/343264704.db2.gz BKKPVWSCJCGWOA-UHFFFAOYSA-N 0 0 225.078 3.450 10 0 BGAERN CSc1ccc(C(=O)c2cccc(N)c2)cc1 ZINC000034104134 345816840 /nfs/dbraw/zinc/81/68/40/345816840.db2.gz XGCAHUSGWZWXKJ-UHFFFAOYSA-N 0 0 243.331 3.222 10 0 BGAERN O=C(/C=C(\Cl)c1ccccc1)C(F)(F)F ZINC000034108129 345817160 /nfs/dbraw/zinc/81/71/60/345817160.db2.gz QNULORDXHYUWHJ-VURMDHGXSA-N 0 0 234.604 3.398 10 0 BGAERN C[C@H]1c2cc(Cl)cc(Cl)c2NC1=O ZINC000034108174 346197713 /nfs/dbraw/zinc/19/77/13/346197713.db2.gz WZVFUJYWWIEWNH-BYPYZUCNSA-N 0 0 216.067 3.049 10 0 BGAERN O[C@@H]1CCCC[C@H]1CCc1ccccc1 ZINC000034109133 343141968 /nfs/dbraw/zinc/14/19/68/343141968.db2.gz XZWKIBGRBMDUAD-UONOGXRCSA-N 0 0 204.313 3.170 10 0 BGAERN CCOP(=O)(OCC)c1ccccc1Cl ZINC000034110340 345817238 /nfs/dbraw/zinc/81/72/38/345817238.db2.gz 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Cc1ccc(C(=O)CN2CCC[C@H](C)C2)cc1C ZINC000034988906 178373068 /nfs/dbraw/zinc/37/30/68/178373068.db2.gz LLWFZZRRWNXWJJ-LBPRGKRZSA-N 0 0 245.366 3.218 10 0 BGAERN Cc1ccc(C(=O)CN2CCC[C@@H](C)C2)cc1C ZINC000034988907 178373687 /nfs/dbraw/zinc/37/36/87/178373687.db2.gz LLWFZZRRWNXWJJ-GFCCVEGCSA-N 0 0 245.366 3.218 10 0 BGAERN Cc1ccc(C(=O)CN2CCC[C@H](C)C2)c(C)c1 ZINC000034988936 178373111 /nfs/dbraw/zinc/37/31/11/178373111.db2.gz BHFKGOQDEVJVHZ-ZDUSSCGKSA-N 0 0 245.366 3.218 10 0 BGAERN Cc1ccc(C(=O)CN2CCC[C@@H](C)C2)c(C)c1 ZINC000034988938 178373249 /nfs/dbraw/zinc/37/32/49/178373249.db2.gz BHFKGOQDEVJVHZ-CYBMUJFWSA-N 0 0 245.366 3.218 10 0 BGAERN CCc1ccc(C(=O)CN2CCC(C)CC2)cc1 ZINC000034989721 171783128 /nfs/dbraw/zinc/78/31/28/171783128.db2.gz MJPSKNVRWQCEEM-UHFFFAOYSA-N 0 0 245.366 3.164 10 0 BGAERN Cc1ccc(C(=O)CN2CCC(C)CC2)c(C)c1 ZINC000034989734 188285277 /nfs/dbraw/zinc/28/52/77/188285277.db2.gz GRUUKRIFQCKROB-UHFFFAOYSA-N 0 0 245.366 3.218 10 0 BGAERN Cc1ccc(CN[C@@H]2CCOc3ccccc32)o1 ZINC000034996447 356703186 /nfs/dbraw/zinc/70/31/86/356703186.db2.gz DHAYVPSSOPURLS-CQSZACIVSA-N 0 0 243.306 3.201 10 0 BGAERN Cc1ccc(CN[C@H]2CCOc3ccccc32)o1 ZINC000034996448 356703576 /nfs/dbraw/zinc/70/35/76/356703576.db2.gz DHAYVPSSOPURLS-AWEZNQCLSA-N 0 0 243.306 3.201 10 0 BGAERN O=C1CCC[C@H]1Sc1ccc(F)cc1F ZINC000035013687 351381964 /nfs/dbraw/zinc/38/19/64/351381964.db2.gz DNAJHWRCBLCSOH-LLVKDONJSA-N 0 0 228.263 3.179 10 0 BGAERN O=C1CCC[C@@H]1Sc1ccc(F)cc1F ZINC000035013689 351381908 /nfs/dbraw/zinc/38/19/08/351381908.db2.gz DNAJHWRCBLCSOH-NSHDSACASA-N 0 0 228.263 3.179 10 0 BGAERN O=C1CCC[C@H]1Sc1cc(F)ccc1F ZINC000035013864 351381912 /nfs/dbraw/zinc/38/19/12/351381912.db2.gz ZUIPQLPVAWQWPI-SNVBAGLBSA-N 0 0 228.263 3.179 10 0 BGAERN O=C1CCC[C@@H]1Sc1cc(F)ccc1F ZINC000035013866 351381887 /nfs/dbraw/zinc/38/18/87/351381887.db2.gz ZUIPQLPVAWQWPI-JTQLQIEISA-N 0 0 228.263 3.179 10 0 BGAERN O=C1CCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000035014037 351382141 /nfs/dbraw/zinc/38/21/41/351382141.db2.gz ALYTWLYZSUEKLT-LLVKDONJSA-N 0 0 228.263 3.179 10 0 BGAERN O=C1CCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000035014039 351381899 /nfs/dbraw/zinc/38/18/99/351381899.db2.gz ALYTWLYZSUEKLT-NSHDSACASA-N 0 0 228.263 3.179 10 0 BGAERN CC(C)(C)SCC(=O)c1ccc(O)cc1 ZINC000035018467 351382010 /nfs/dbraw/zinc/38/20/10/351382010.db2.gz TVAKXFYFSSCKTD-UHFFFAOYSA-N 0 0 224.325 3.107 10 0 BGAERN O=C(COc1cccc(F)c1)c1cccc(F)c1 ZINC000035018474 182001933 /nfs/dbraw/zinc/00/19/33/182001933.db2.gz ZNADXHYAPINZCO-UHFFFAOYSA-N 0 0 248.228 3.227 10 0 BGAERN O=C(CN1CCCCC1)c1cccc(Cl)c1 ZINC000035020083 351384413 /nfs/dbraw/zinc/38/44/13/351384413.db2.gz JBRNWEAXGNNPPO-UHFFFAOYSA-N 0 0 237.730 3.009 10 0 BGAERN O=C(CN1CCCCC1)c1ccc(Cl)s1 ZINC000035020084 351384402 /nfs/dbraw/zinc/38/44/02/351384402.db2.gz BDQLNHWCSROLSR-UHFFFAOYSA-N 0 0 243.759 3.070 10 0 BGAERN CC(C)c1ccc(C(=O)CN2CCCCC2)cc1 ZINC000035020104 351384438 /nfs/dbraw/zinc/38/44/38/351384438.db2.gz PZXCPIDLLIUXIT-UHFFFAOYSA-N 0 0 245.366 3.479 10 0 BGAERN Cc1ccc(C(=O)[C@@H](C)N2CCCCC2)cc1C ZINC000035020130 178445040 /nfs/dbraw/zinc/44/50/40/178445040.db2.gz VEVSKUOCCGBPMP-CQSZACIVSA-N 0 0 245.366 3.361 10 0 BGAERN CC(C)(C)C(=O)CN1CCCc2ccccc21 ZINC000035020271 132337396 /nfs/dbraw/zinc/33/73/96/132337396.db2.gz PSAKFHJOOAMSKO-UHFFFAOYSA-N 0 0 231.339 3.054 10 0 BGAERN CC(C)c1ccc(C(=O)CN(C)C(C)C)cc1 ZINC000035022996 187257474 /nfs/dbraw/zinc/25/74/74/187257474.db2.gz LYXFRAVQXVOMCJ-UHFFFAOYSA-N 0 0 233.355 3.333 10 0 BGAERN CCOc1c(C)c(C)nc2ccccc21 ZINC000035029350 343283258 /nfs/dbraw/zinc/28/32/58/343283258.db2.gz WTNZXTFBFSRXRH-UHFFFAOYSA-N 0 0 201.269 3.250 10 0 BGAERN CCCCOc1ccccc1-c1ncc[nH]1 ZINC000035029672 343283335 /nfs/dbraw/zinc/28/33/35/343283335.db2.gz DNUGAUJVJCYXCW-UHFFFAOYSA-N 0 0 216.284 3.256 10 0 BGAERN CC(C)COc1ccccc1-c1ncc[nH]1 ZINC000035029674 343283070 /nfs/dbraw/zinc/28/30/70/343283070.db2.gz XSPXENFNPPMCTB-UHFFFAOYSA-N 0 0 216.284 3.112 10 0 BGAERN CC[C@@H](C)Oc1ccccc1-c1ncc[nH]1 ZINC000035029676 343283270 /nfs/dbraw/zinc/28/32/70/343283270.db2.gz VKPXFAXESZJCAB-SNVBAGLBSA-N 0 0 216.284 3.254 10 0 BGAERN CC[C@H](C)Oc1ccccc1-c1ncc[nH]1 ZINC000035029678 171357174 /nfs/dbraw/zinc/35/71/74/171357174.db2.gz VKPXFAXESZJCAB-JTQLQIEISA-N 0 0 216.284 3.254 10 0 BGAERN C[C@@H](C(=O)c1ccc(F)cc1)N1CCCC[C@@H]1C ZINC000035036039 177079096 /nfs/dbraw/zinc/07/90/96/177079096.db2.gz GXSWMOAETOKLPT-RYUDHWBXSA-N 0 0 249.329 3.271 10 0 BGAERN CCNc1ccc2nc(SC)sc2c1 ZINC000035036397 170174844 /nfs/dbraw/zinc/17/48/44/170174844.db2.gz RUBYGCDQAITYPB-UHFFFAOYSA-N 0 0 224.354 3.450 10 0 BGAERN c1[nH]nc2ccc(NCCc3ccccc3)cc12 ZINC000035036619 636435630 /nfs/dbraw/zinc/43/56/30/636435630.db2.gz AOICQPSHJMGYRG-UHFFFAOYSA-N 0 0 237.306 3.218 10 0 BGAERN CC(C)Nc1cc(Cl)ccc1N(C)C ZINC000035037313 351386798 /nfs/dbraw/zinc/38/67/98/351386798.db2.gz PYXILOHSTGXSHW-UHFFFAOYSA-N 0 0 212.724 3.226 10 0 BGAERN c1cc2cnccc2c(NCc2ccncc2)c1 ZINC000035038622 183357029 /nfs/dbraw/zinc/35/70/29/183357029.db2.gz LNLSXMROXDASDW-UHFFFAOYSA-N 0 0 235.290 3.242 10 0 BGAERN Fc1cc(Cl)ccc1NCc1ccncc1 ZINC000035039939 188467206 /nfs/dbraw/zinc/46/72/06/188467206.db2.gz YTOUMMWTWQGOJC-UHFFFAOYSA-N 0 0 236.677 3.486 10 0 BGAERN C[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045288 343283691 /nfs/dbraw/zinc/28/36/91/343283691.db2.gz CWOFRRYJYMTMFS-YFKPBYRVSA-N 0 0 222.090 3.413 10 0 BGAERN CCNC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000035045792 170042454 /nfs/dbraw/zinc/04/24/54/170042454.db2.gz DTBNAIDFWUMJGK-SREVYHEPSA-N 0 0 244.121 3.143 10 0 BGAERN Cc1cc2ncnn2c(NC2CCCCCC2)c1 ZINC000035047931 178154685 /nfs/dbraw/zinc/15/46/85/178154685.db2.gz UJGGTISYJJHVJP-UHFFFAOYSA-N 0 0 244.342 3.172 10 0 BGAERN Cc1cc2ncnn2c(NC2CCC(C)CC2)c1 ZINC000035047957 178154678 /nfs/dbraw/zinc/15/46/78/178154678.db2.gz HULAILPCWXUSJS-UHFFFAOYSA-N 0 0 244.342 3.028 10 0 BGAERN Cc1ccccc1-c1ccc2nc(N)ncc2c1 ZINC000035049815 179236794 /nfs/dbraw/zinc/23/67/94/179236794.db2.gz RAWAQXBVMDKSIO-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 in-vivo BGAERN CCSCC(=O)c1cc2ccccc2o1 ZINC000035052315 351997955 /nfs/dbraw/zinc/99/79/55/351997955.db2.gz SCZLZDFLCLYPAN-UHFFFAOYSA-N 0 0 220.293 3.369 10 0 BGAERN COc1ccc(CNc2ccc(N)c(C)c2)cc1 ZINC000035056275 188284821 /nfs/dbraw/zinc/28/48/21/188284821.db2.gz WRZNWWNUQQIOBO-UHFFFAOYSA-N 0 0 242.322 3.198 10 0 BGAERN Cc1cc(Nc2ccc3c(c2)OCO3)ccc1N ZINC000035056277 178192358 /nfs/dbraw/zinc/19/23/58/178192358.db2.gz BNVFYNGRPCUGQH-UHFFFAOYSA-N 0 0 242.278 3.050 10 0 BGAERN COc1ccc(Nc2ccc(N)c(C)c2)cc1F ZINC000035056291 175155992 /nfs/dbraw/zinc/15/59/92/175155992.db2.gz WHXLUIICUIFCDJ-UHFFFAOYSA-N 0 0 246.285 3.469 10 0 BGAERN COc1cccc(COc2cccc(N)c2C)c1 ZINC000035056496 175269993 /nfs/dbraw/zinc/26/99/93/175269993.db2.gz QFWVCGVKJWOKSQ-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN C[C@@H]1CCCN(c2ccc(N)c3cnccc32)C1 ZINC000035059577 132337339 /nfs/dbraw/zinc/33/73/39/132337339.db2.gz GFVGMKPVOHYDMB-LLVKDONJSA-N 0 0 241.338 3.053 10 0 BGAERN C[C@H]1CCCN(c2ccc(N)c3cnccc32)C1 ZINC000035059580 132337593 /nfs/dbraw/zinc/33/75/93/132337593.db2.gz GFVGMKPVOHYDMB-NSHDSACASA-N 0 0 241.338 3.053 10 0 BGAERN CCCN(c1ccc(N)c2cnccc21)C(C)C ZINC000035059632 169182899 /nfs/dbraw/zinc/18/28/99/169182899.db2.gz CHUFDGPEHVHRFR-UHFFFAOYSA-N 0 0 243.354 3.442 10 0 BGAERN CC1CCN(c2ccc(N)c3ncccc23)CC1 ZINC000035059837 132337601 /nfs/dbraw/zinc/33/76/01/132337601.db2.gz VSBYRIRFORDFRJ-UHFFFAOYSA-N 0 0 241.338 3.053 10 0 BGAERN CCCN(CCC)c1ccc(N)c2ncccc12 ZINC000035059865 169152405 /nfs/dbraw/zinc/15/24/05/169152405.db2.gz KWQCRAVQYIELTC-UHFFFAOYSA-N 0 0 243.354 3.443 10 0 BGAERN CCCN(c1ccc(N)c2ncccc12)C1CC1 ZINC000035059911 169182698 /nfs/dbraw/zinc/18/26/98/169182698.db2.gz MIWUSKSJPQPJSM-UHFFFAOYSA-N 0 0 241.338 3.196 10 0 BGAERN CC1CCN(c2ccc3cc(N)ccc3n2)CC1 ZINC000035060470 132337509 /nfs/dbraw/zinc/33/75/09/132337509.db2.gz ZTRMVESHDYRFPI-UHFFFAOYSA-N 0 0 241.338 3.053 10 0 BGAERN C[C@@H]1CCCCN1c1ccc2cc(N)ccc2n1 ZINC000035060473 132337484 /nfs/dbraw/zinc/33/74/84/132337484.db2.gz QYVAKRKGWSHZOR-LLVKDONJSA-N 0 0 241.338 3.196 10 0 BGAERN C[C@H]1CCCCN1c1ccc2cc(N)ccc2n1 ZINC000035060476 132337496 /nfs/dbraw/zinc/33/74/96/132337496.db2.gz QYVAKRKGWSHZOR-NSHDSACASA-N 0 0 241.338 3.196 10 0 BGAERN CCCN(CCC)c1ccc2cc(N)ccc2n1 ZINC000035060500 169153579 /nfs/dbraw/zinc/15/35/79/169153579.db2.gz ITJYQYMNKARPSV-UHFFFAOYSA-N 0 0 243.354 3.443 10 0 BGAERN CCCN(Cc1cccc(N)c1)C(=O)C(C)(C)C ZINC000035064562 169175435 /nfs/dbraw/zinc/17/54/35/169175435.db2.gz NVCJLNROEMPWIQ-UHFFFAOYSA-N 0 0 248.370 3.054 10 0 BGAERN CC(C)N(Cc1cccc(N)c1)C(=O)C(C)(C)C ZINC000035064819 187421643 /nfs/dbraw/zinc/42/16/43/187421643.db2.gz KLXHGOSGUFNILD-UHFFFAOYSA-N 0 0 248.370 3.052 10 0 BGAERN CCCCCc1c(OC)cc(OC)cc1OC ZINC000035075300 345848704 /nfs/dbraw/zinc/84/87/04/345848704.db2.gz CUWWTMVCOQPZKA-UHFFFAOYSA-N 0 0 238.327 3.445 10 0 BGAERN COc1cc(OC)c(CC(C)(C)C)c(OC)c1 ZINC000035075324 345849224 /nfs/dbraw/zinc/84/92/24/345849224.db2.gz FQGLMPRTCLECKS-UHFFFAOYSA-N 0 0 238.327 3.301 10 0 BGAERN CC1(C)Sc2cc(Cl)ccc2NC1=O ZINC000035076927 387008630 /nfs/dbraw/zinc/00/86/30/387008630.db2.gz XMMSGCDZJRZNBF-UHFFFAOYSA-N 0 0 227.716 3.163 10 0 BGAERN O=c1oc(C2CCCCC2)cc2cccnc21 ZINC000035077040 183012472 /nfs/dbraw/zinc/01/24/72/183012472.db2.gz CANHGBRKBKJQRX-UHFFFAOYSA-N 0 0 229.279 3.236 10 0 BGAERN CCCCCCNC(=S)N1CCCCCC1 ZINC000035082006 520093036 /nfs/dbraw/zinc/09/30/36/520093036.db2.gz DECZEQOFWGFTSP-UHFFFAOYSA-N 0 0 242.432 3.317 10 0 BGAERN CCN(CC)C(=S)NC(C)(C)CC(C)(C)C ZINC000035082118 169761829 /nfs/dbraw/zinc/76/18/29/169761829.db2.gz OEWMKEICKOBSAC-UHFFFAOYSA-N 0 0 244.448 3.418 10 0 BGAERN CCOCCNc1cccc(Cl)c1C ZINC000035098019 170417033 /nfs/dbraw/zinc/41/70/33/170417033.db2.gz ZVLLCWKVZKUWMZ-UHFFFAOYSA-N 0 0 213.708 3.097 10 0 BGAERN CCCCc1ccc(NCCOCC)cc1 ZINC000035098027 169022209 /nfs/dbraw/zinc/02/22/09/169022209.db2.gz KYIDFKKLUJCRAT-UHFFFAOYSA-N 0 0 221.344 3.478 10 0 BGAERN CCOCCNc1cccc(C(C)C)c1 ZINC000035098134 170416783 /nfs/dbraw/zinc/41/67/83/170416783.db2.gz FBVFBLHLZIEGOT-UHFFFAOYSA-N 0 0 207.317 3.258 10 0 BGAERN C[C@H](O)c1ccc2ccccc2c1OC(F)F ZINC000035119721 177017050 /nfs/dbraw/zinc/01/70/50/177017050.db2.gz KWFZRZAPQVSSGT-QMMMGPOBSA-N 0 0 238.233 3.495 10 0 BGAERN COc1cc(OC)c(-n2cccc2)cc1Cl ZINC000035120156 175006779 /nfs/dbraw/zinc/00/67/79/175006779.db2.gz LPBNRKAOKOHDIS-UHFFFAOYSA-N 0 0 237.686 3.148 10 0 BGAERN c1ccn(C23CC4CC(CC(C4)C2)C3)c1 ZINC000035120185 387554590 /nfs/dbraw/zinc/55/45/90/387554590.db2.gz FPDMMEYWYCEYGO-UHFFFAOYSA-N 0 0 201.313 3.413 10 0 BGAERN COc1ccc(CCn2c(C)ccc2C)cc1 ZINC000035120204 175094265 /nfs/dbraw/zinc/09/42/65/175094265.db2.gz SEBBZQXIHLFXSQ-UHFFFAOYSA-N 0 0 229.323 3.356 10 0 BGAERN c1csc(CNc2nncc3ccccc32)c1 ZINC000035120993 183520377 /nfs/dbraw/zinc/52/03/77/183520377.db2.gz SIWDFFPQWQLCLJ-UHFFFAOYSA-N 0 0 241.319 3.303 10 0 BGAERN C[C@H](Nc1ncccc1Cl)c1cccnc1 ZINC000035126336 176940023 /nfs/dbraw/zinc/94/00/23/176940023.db2.gz PZCIXOLZQKMPOK-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@H](Nc1ccccn1)c1cccs1 ZINC000035127958 355839922 /nfs/dbraw/zinc/83/99/22/355839922.db2.gz AYQQMUDMNQSZHV-VIFPVBQESA-N 0 0 204.298 3.316 10 0 BGAERN C[C@@H](Nc1ccccn1)c1cccs1 ZINC000035127960 356704319 /nfs/dbraw/zinc/70/43/19/356704319.db2.gz AYQQMUDMNQSZHV-SECBINFHSA-N 0 0 204.298 3.316 10 0 BGAERN C[C@H](Nc1nccs1)c1cccs1 ZINC000035134404 355843813 /nfs/dbraw/zinc/84/38/13/355843813.db2.gz DNWVVYZYBVNPFD-ZETCQYMHSA-N 0 0 210.327 3.378 10 0 BGAERN C[C@@H](Nc1nccs1)c1cccs1 ZINC000035134405 355844276 /nfs/dbraw/zinc/84/42/76/355844276.db2.gz DNWVVYZYBVNPFD-SSDOTTSWSA-N 0 0 210.327 3.378 10 0 BGAERN CCCCCNC(=O)c1c[nH]c2ccccc12 ZINC000035134566 168712145 /nfs/dbraw/zinc/71/21/45/168712145.db2.gz KYNJUQTYEJKLCV-UHFFFAOYSA-N 0 0 230.311 3.088 10 0 BGAERN O=C(c1c[nH]c2ccccc12)N1CCCCCC1 ZINC000035134572 182646704 /nfs/dbraw/zinc/64/67/04/182646704.db2.gz BYQHCNMNIBWWQI-UHFFFAOYSA-N 0 0 242.322 3.184 10 0 BGAERN C[C@@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000035134592 176094224 /nfs/dbraw/zinc/09/42/24/176094224.db2.gz BLKGFMCKJJEPHL-LLVKDONJSA-N 0 0 242.322 3.040 10 0 BGAERN C[C@H]1CCCN(C(=O)c2c[nH]c3ccccc23)C1 ZINC000035134593 177094125 /nfs/dbraw/zinc/09/41/25/177094125.db2.gz BLKGFMCKJJEPHL-NSHDSACASA-N 0 0 242.322 3.040 10 0 BGAERN CCC(CC)NC(=O)c1c[nH]c2ccccc12 ZINC000035134645 168384872 /nfs/dbraw/zinc/38/48/72/168384872.db2.gz AKVKDAQLCOBUQD-UHFFFAOYSA-N 0 0 230.311 3.086 10 0 BGAERN CCC[C@@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134745 169368849 /nfs/dbraw/zinc/36/88/49/169368849.db2.gz VQSXWTGLKPYITR-SNVBAGLBSA-N 0 0 230.311 3.086 10 0 BGAERN CCC[C@H](C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134746 169493098 /nfs/dbraw/zinc/49/30/98/169493098.db2.gz VQSXWTGLKPYITR-JTQLQIEISA-N 0 0 230.311 3.086 10 0 BGAERN CCC(C)(C)NC(=O)c1c[nH]c2ccccc12 ZINC000035134747 168296285 /nfs/dbraw/zinc/29/62/85/168296285.db2.gz RETVIKDIZKOOPC-UHFFFAOYSA-N 0 0 230.311 3.086 10 0 BGAERN C[C@@H](Nc1nncc2ccccc21)c1ccco1 ZINC000035135122 175939859 /nfs/dbraw/zinc/93/98/59/175939859.db2.gz BLUXMYXNPJEMHK-SNVBAGLBSA-N 0 0 239.278 3.396 10 0 BGAERN C[C@H](Nc1ccc(Cl)nn1)c1cccs1 ZINC000035139444 386464982 /nfs/dbraw/zinc/46/49/82/386464982.db2.gz FCBFYTKYGHBQBS-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1ccc(Cl)nn1)c1cccs1 ZINC000035139446 355853032 /nfs/dbraw/zinc/85/30/32/355853032.db2.gz FCBFYTKYGHBQBS-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN Cc1cccc(C(=O)N[C@@H](C)CCC(C)C)c1N ZINC000035141067 179021704 /nfs/dbraw/zinc/02/17/04/179021704.db2.gz ZJYZTJSOIZQXHY-LBPRGKRZSA-N 0 0 248.370 3.132 10 0 BGAERN Cc1cccc(C(=O)N[C@H](C)CCC(C)C)c1N ZINC000035141069 179023821 /nfs/dbraw/zinc/02/38/21/179023821.db2.gz ZJYZTJSOIZQXHY-GFCCVEGCSA-N 0 0 248.370 3.132 10 0 BGAERN CC(C)(C)SCc1nnsc1Cl ZINC000035163897 343287567 /nfs/dbraw/zinc/28/75/67/343287567.db2.gz XPYTXGRXEPKTLP-UHFFFAOYSA-N 0 0 222.766 3.223 10 0 BGAERN O=C1CCC[C@H]1Sc1ccc(F)cc1 ZINC000035181577 355875061 /nfs/dbraw/zinc/87/50/61/355875061.db2.gz 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/nfs/dbraw/zinc/00/35/89/182003589.db2.gz BUFRCFKGYUKZSC-UHFFFAOYSA-N 0 0 230.238 3.087 10 0 BGAERN O=C(CSc1ccccc1)c1ccco1 ZINC000035184009 355876999 /nfs/dbraw/zinc/87/69/99/355876999.db2.gz QROGFZOBDXAVGF-UHFFFAOYSA-N 0 0 218.277 3.255 10 0 BGAERN O=C(COc1cccc(F)c1)c1ccccc1F ZINC000035184129 182001220 /nfs/dbraw/zinc/00/12/20/182001220.db2.gz GRXKEAXQVRGQFL-UHFFFAOYSA-N 0 0 248.228 3.227 10 0 BGAERN COc1ccc(OCC(=O)c2cccs2)cc1 ZINC000035184194 175172166 /nfs/dbraw/zinc/17/21/66/175172166.db2.gz GPIPPLPZYYZTQX-UHFFFAOYSA-N 0 0 248.303 3.018 10 0 BGAERN CCOC(=O)c1cc2ccc(SC)cc2[nH]1 ZINC000035186309 170293536 /nfs/dbraw/zinc/29/35/36/170293536.db2.gz CHBMLBKMXYDWDB-UHFFFAOYSA-N 0 0 235.308 3.067 10 0 BGAERN CCOC(=O)c1cc2c([nH]1)c(C)c(C)cc2C ZINC000035186311 170292927 /nfs/dbraw/zinc/29/29/27/170292927.db2.gz YMOQWYVSETYZFV-UHFFFAOYSA-N 0 0 231.295 3.270 10 0 BGAERN O=C(c1cccs1)c1cc(F)ccc1F ZINC000035186326 355873880 /nfs/dbraw/zinc/87/38/80/355873880.db2.gz RAFGUNPQBVLMCZ-UHFFFAOYSA-N 0 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PKODMOXHBBKFQH-UHFFFAOYSA-N 0 0 221.609 3.327 10 0 BGAERN C=CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000035219935 356419541 /nfs/dbraw/zinc/41/95/41/356419541.db2.gz OSHVGNVNDIBXCR-UHFFFAOYSA-N 0 0 229.251 3.126 10 0 BGAERN C=CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000035219941 188111688 /nfs/dbraw/zinc/11/16/88/188111688.db2.gz QOMVNHATSJWELR-UHFFFAOYSA-N 0 0 248.282 3.074 10 0 BGAERN CC[C@@H](C)SCC(=O)c1ccc(O)cc1 ZINC000035224993 356420360 /nfs/dbraw/zinc/42/03/60/356420360.db2.gz DGOFPWVXBZMERO-SECBINFHSA-N 0 0 224.325 3.107 10 0 BGAERN CC[C@H](C)SCC(=O)c1ccc(O)cc1 ZINC000035224995 356421253 /nfs/dbraw/zinc/42/12/53/356421253.db2.gz DGOFPWVXBZMERO-VIFPVBQESA-N 0 0 224.325 3.107 10 0 BGAERN Cc1cccc(Nc2nsnc2Cl)c1 ZINC000035232124 179159855 /nfs/dbraw/zinc/15/98/55/179159855.db2.gz IQIMMJRGTQZBDF-UHFFFAOYSA-N 0 0 225.704 3.244 10 0 BGAERN Fc1ccc(Nc2nsnc2Cl)cc1 ZINC000035232128 343290491 /nfs/dbraw/zinc/29/04/91/343290491.db2.gz GZHQGTNVCMROMS-UHFFFAOYSA-N 0 0 229.667 3.074 10 0 BGAERN Cc1ccc(Nc2nsnc2Cl)cc1 ZINC000035232132 343290447 /nfs/dbraw/zinc/29/04/47/343290447.db2.gz WZRWGEFZQPUABR-UHFFFAOYSA-N 0 0 225.704 3.244 10 0 BGAERN Clc1nsnc1Sc1ccccc1 ZINC000035232147 356422787 /nfs/dbraw/zinc/42/27/87/356422787.db2.gz CNZKQRCLPNZYNA-UHFFFAOYSA-N 0 0 228.729 3.343 10 0 BGAERN CCc1ccc(Nc2nsnc2Cl)cc1 ZINC000035232205 383846134 /nfs/dbraw/zinc/84/61/34/383846134.db2.gz MOSCEKSIWOYZIR-UHFFFAOYSA-N 0 0 239.731 3.498 10 0 BGAERN Clc1nsnc1SCc1ccccc1 ZINC000035232232 356422820 /nfs/dbraw/zinc/42/28/20/356422820.db2.gz MVBYEPJTWFLSDX-UHFFFAOYSA-N 0 0 242.756 3.484 10 0 BGAERN Cc1ccc(CNc2nsnc2Cl)cc1 ZINC000035232268 356422825 /nfs/dbraw/zinc/42/28/25/356422825.db2.gz KVXDHVYRQBRKFR-UHFFFAOYSA-N 0 0 239.731 3.112 10 0 BGAERN Cc1csc(Sc2nsnc2Cl)n1 ZINC000035232281 356423080 /nfs/dbraw/zinc/42/30/80/356423080.db2.gz WXVFONOAYGAACW-UHFFFAOYSA-N 0 0 249.773 3.108 10 0 BGAERN C[C@H](Nc1nsnc1Cl)c1cccs1 ZINC000035232321 356422871 /nfs/dbraw/zinc/42/28/71/356422871.db2.gz RYQHMTKIFJVQPL-YFKPBYRVSA-N 0 0 245.760 3.426 10 0 BGAERN C[C@@H](Nc1nsnc1Cl)c1cccs1 ZINC000035232322 356422886 /nfs/dbraw/zinc/42/28/86/356422886.db2.gz RYQHMTKIFJVQPL-RXMQYKEDSA-N 0 0 245.760 3.426 10 0 BGAERN C/C(=C\CO)C12CC3CC(CC(C3)C1)C2 ZINC000035242344 345848250 /nfs/dbraw/zinc/84/82/50/345848250.db2.gz KLXQIQQCUSZLSG-WTDSWWLTSA-N 0 0 206.329 3.141 10 0 BGAERN CC(C)(O)c1c(Cl)cccc1Cl ZINC000035243176 187258120 /nfs/dbraw/zinc/25/81/20/187258120.db2.gz LHSLJFPXUQJITG-UHFFFAOYSA-N 0 0 205.084 3.221 10 0 BGAERN Fc1ncccc1-c1ccnc2ccccc21 ZINC000035246492 345848205 /nfs/dbraw/zinc/84/82/05/345848205.db2.gz AEQZIGPGMDAPLB-UHFFFAOYSA-N 0 0 224.238 3.436 10 0 BGAERN O=Cc1ccccc1NC1CCCCC1 ZINC000035246594 342760709 /nfs/dbraw/zinc/76/07/09/342760709.db2.gz ZPDAVZCSZSZGHM-UHFFFAOYSA-N 0 0 203.285 3.244 10 0 BGAERN Cc1nc(N)sc1Cc1ccc(C)cc1C ZINC000035250919 188111303 /nfs/dbraw/zinc/11/13/03/188111303.db2.gz ZGXUAKSZRLIUCD-UHFFFAOYSA-N 0 0 232.352 3.241 10 0 BGAERN CC(C)(C)NC(=O)/C=C\c1cccc(Cl)c1 ZINC000035251644 356448553 /nfs/dbraw/zinc/44/85/53/356448553.db2.gz FIMUJSTVEKOQEG-FPLPWBNLSA-N 0 0 237.730 3.268 10 0 BGAERN CCOC(=O)c1cccc([C@H]2C=CCC2)c1 ZINC000035259250 345847365 /nfs/dbraw/zinc/84/73/65/345847365.db2.gz IIWWBLPMLIQDQB-NSHDSACASA-N 0 0 216.280 3.297 10 0 BGAERN CCOC(=O)c1cccc([C@@H]2C=CCC2)c1 ZINC000035259251 345846963 /nfs/dbraw/zinc/84/69/63/345846963.db2.gz IIWWBLPMLIQDQB-LLVKDONJSA-N 0 0 216.280 3.297 10 0 BGAERN CC(C)Oc1cncc(-c2cccc(C=O)c2)c1 ZINC000035270068 641345821 /nfs/dbraw/zinc/34/58/21/641345821.db2.gz ZQLZUQYBINWBOI-UHFFFAOYSA-N 0 0 241.290 3.348 10 0 BGAERN C=Cc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000035272925 345848032 /nfs/dbraw/zinc/84/80/32/345848032.db2.gz FWMITEVYYCEUCF-UHFFFAOYSA-N 0 0 237.730 3.465 10 0 BGAERN CCc1ccc(C(=O)N(CC)CC)c(Cl)c1 ZINC000035274118 368845676 /nfs/dbraw/zinc/84/56/76/368845676.db2.gz BJBVIXHJFYUEFF-UHFFFAOYSA-N 0 0 239.746 3.384 10 0 BGAERN COc1cc(OC)c(-c2cccs2)cc1C=O ZINC000035274961 345849303 /nfs/dbraw/zinc/84/93/03/345849303.db2.gz BYKQKXRAYNMVNQ-UHFFFAOYSA-N 0 0 248.303 3.245 10 0 BGAERN CC(C)Cn1nc(-c2ccccc2Cl)cc1N ZINC000035277005 187421662 /nfs/dbraw/zinc/42/16/62/187421662.db2.gz RATOTSATXSHMEX-UHFFFAOYSA-N 0 0 249.745 3.442 10 0 BGAERN Cc1ccc(-c2cc(N)n(CC(C)C)n2)cc1 ZINC000035277010 178321476 /nfs/dbraw/zinc/32/14/76/178321476.db2.gz SLPBZRHRXMDOPS-UHFFFAOYSA-N 0 0 229.327 3.097 10 0 BGAERN CC(C)(C)n1nc(-c2cccc(F)c2)cc1N ZINC000035277069 187767168 /nfs/dbraw/zinc/76/71/68/187767168.db2.gz CDBOZCILHROHBM-UHFFFAOYSA-N 0 0 233.290 3.026 10 0 BGAERN Cc1ccc(-c2cc(N)n(C(C)(C)C)n2)cc1 ZINC000035277072 178321678 /nfs/dbraw/zinc/32/16/78/178321678.db2.gz OCLDEXJNWFBZDW-UHFFFAOYSA-N 0 0 229.327 3.196 10 0 BGAERN Cc1cc(N2CCc3sccc3C2)ccc1N ZINC000035277472 132337906 /nfs/dbraw/zinc/33/79/06/132337906.db2.gz ADANNJMEORBHKU-UHFFFAOYSA-N 0 0 244.363 3.201 10 0 BGAERN Cc1cc(NCCc2ccccc2)ccc1N ZINC000035277749 178163484 /nfs/dbraw/zinc/16/34/84/178163484.db2.gz MSMNMHRAJYPFPJ-UHFFFAOYSA-N 0 0 226.323 3.232 10 0 BGAERN Cc1cc(NCc2ccc(F)cc2)ccc1N ZINC000035277764 178171747 /nfs/dbraw/zinc/17/17/47/178171747.db2.gz XZZOMBMXKPPSII-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1cc(NCc2ccccc2F)ccc1N ZINC000035277790 178173831 /nfs/dbraw/zinc/17/38/31/178173831.db2.gz DVKZBDYMSGGAKA-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1cc(NCc2cccc(F)c2)ccc1N ZINC000035277844 178172534 /nfs/dbraw/zinc/17/25/34/178172534.db2.gz DCRYPYKJPJDQME-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN COc1ccc(Nc2ccc(N)c(C)c2)cc1 ZINC000035277864 175156249 /nfs/dbraw/zinc/15/62/49/175156249.db2.gz WAUOVSHTUUAZDX-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN COc1ccccc1Nc1ccc(N)c(C)c1 ZINC000035277901 175339661 /nfs/dbraw/zinc/33/96/61/175339661.db2.gz QWUIHDULYQOZPD-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN COc1cccc(Nc2ccc(N)c(C)c2)c1 ZINC000035278110 175281133 /nfs/dbraw/zinc/28/11/33/175281133.db2.gz TWHFJXGESXOIPS-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN Cc1cc(NCc2cccs2)ccc1N ZINC000035278187 178175462 /nfs/dbraw/zinc/17/54/62/178175462.db2.gz TVBLCDGHTYZJJW-UHFFFAOYSA-N 0 0 218.325 3.251 10 0 BGAERN Cc1cc(SCc2ccco2)ccc1N ZINC000035278633 178218166 /nfs/dbraw/zinc/21/81/66/178218166.db2.gz FPUPQSRLCYQABI-UHFFFAOYSA-N 0 0 219.309 3.463 10 0 BGAERN Cc1ccc2nc(-c3ccccc3N)oc2c1 ZINC000035279067 188467568 /nfs/dbraw/zinc/46/75/68/188467568.db2.gz HTJXMQHKVJEOAJ-UHFFFAOYSA-N 0 0 224.263 3.385 10 0 BGAERN Cc1c(N)cccc1OCc1ccccc1F ZINC000035283172 177615707 /nfs/dbraw/zinc/61/57/07/177615707.db2.gz NFOHCKRPQKHTAW-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1ccccc1COc1cccc(N)c1C ZINC000035283192 179287454 /nfs/dbraw/zinc/28/74/54/179287454.db2.gz UVTPTTGBENKBEP-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1cccc(COc2cccc(N)c2C)c1 ZINC000035283199 188111920 /nfs/dbraw/zinc/11/19/20/188111920.db2.gz NAKPPGRWKXBXDW-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1c(N)cccc1OCc1ccc(F)cc1 ZINC000035283201 177615706 /nfs/dbraw/zinc/61/57/06/177615706.db2.gz YKWILACCORBEEE-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1ccc(COc2cccc(N)c2C)cc1 ZINC000035283204 188111930 /nfs/dbraw/zinc/11/19/30/188111930.db2.gz SVONHOGXKPBAJK-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1cccc(OCc2ccccc2F)c1N ZINC000035283615 187258445 /nfs/dbraw/zinc/25/84/45/187258445.db2.gz DSHMBLZRIRPXEW-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1ccccc1COc1cccc(C)c1N ZINC000035283634 179287070 /nfs/dbraw/zinc/28/70/70/179287070.db2.gz LPQVTBWUBCLBIG-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1ccc(COc2cccc(C)c2N)cc1 ZINC000035283646 188285012 /nfs/dbraw/zinc/28/50/12/188285012.db2.gz URNWJGLXNDPPMV-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1cccc(OCCc2ccccc2)c1N ZINC000035283648 179169452 /nfs/dbraw/zinc/16/94/52/179169452.db2.gz RNLQQGIMOVFAJK-UHFFFAOYSA-N 0 0 227.307 3.199 10 0 BGAERN Fc1ccc(Cl)cc1NCc1ccccn1 ZINC000035284099 180972845 /nfs/dbraw/zinc/97/28/45/180972845.db2.gz ITEZZJRTXLKIGX-UHFFFAOYSA-N 0 0 236.677 3.486 10 0 BGAERN Cc1cccc(Nc2nccc3cccnc32)n1 ZINC000035284388 368847167 /nfs/dbraw/zinc/84/71/67/368847167.db2.gz KQGVDWWDZBDYFI-UHFFFAOYSA-N 0 0 236.278 3.077 10 0 BGAERN Fc1ccc(Cl)cc1NCC(F)(F)F ZINC000035284592 356475649 /nfs/dbraw/zinc/47/56/49/356475649.db2.gz PAWSUAWBLVKAIK-UHFFFAOYSA-N 0 0 227.588 3.453 10 0 BGAERN [NH2+]=C1CCCN1c1cc(Cl)ccc1F ZINC000035284670 356474321 /nfs/dbraw/zinc/47/43/21/356474321.db2.gz UTUDGXXNFIKBNV-UHFFFAOYSA-N 0 0 212.655 3.057 10 0 BGAERN Fc1ccc(Cl)cc1-n1cc[nH]c1=S ZINC000035284703 356474198 /nfs/dbraw/zinc/47/41/98/356474198.db2.gz ANJVBMZETMXDFG-UHFFFAOYSA-N 0 0 228.679 3.327 10 0 BGAERN Cc1cnn([C@@H](C)c2ccc(Cl)s2)c1N ZINC000035286441 179744279 /nfs/dbraw/zinc/74/42/79/179744279.db2.gz VJERHPQFJSTLJE-ZETCQYMHSA-N 0 0 241.747 3.098 10 0 BGAERN Cc1cnn([C@H](C)c2ccc(Cl)s2)c1N ZINC000035286442 179748470 /nfs/dbraw/zinc/74/84/70/179748470.db2.gz VJERHPQFJSTLJE-SSDOTTSWSA-N 0 0 241.747 3.098 10 0 BGAERN COc1ccnc2ccc(C(F)(F)F)cc21 ZINC000035287617 175368934 /nfs/dbraw/zinc/36/89/34/175368934.db2.gz RHIZHCSFONKDHG-UHFFFAOYSA-N 0 0 227.185 3.262 10 0 BGAERN Cc1cc(Br)c(Cl)cc1O ZINC000035287619 187258197 /nfs/dbraw/zinc/25/81/97/187258197.db2.gz KZESEJZODZKOMW-UHFFFAOYSA-N 0 0 221.481 3.117 10 0 BGAERN OC1(Cc2ccc3ccccc3n2)CCCCC1 ZINC000035299123 183021514 /nfs/dbraw/zinc/02/15/14/183021514.db2.gz OLQALGSYDMMYMR-UHFFFAOYSA-N 0 0 241.334 3.473 10 0 BGAERN CN(C)c1ccc(-c2cc3ccccc3[nH]2)nc1 ZINC000035304519 345850058 /nfs/dbraw/zinc/85/00/58/345850058.db2.gz FKBJJTNFSZXKCK-UHFFFAOYSA-N 0 0 237.306 3.296 10 0 BGAERN CN(Cc1cc(F)ccc1N)c1ccccc1 ZINC000035308371 172840241 /nfs/dbraw/zinc/84/02/41/172840241.db2.gz OFDMFZZRSJYWTP-UHFFFAOYSA-N 0 0 230.286 3.044 10 0 BGAERN Cc1cccc(OCc2cc(F)ccc2N)c1 ZINC000035308718 179172492 /nfs/dbraw/zinc/17/24/92/179172492.db2.gz NRPCMXROABTSQI-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1ccccc1OCc1cc(F)ccc1N ZINC000035308720 188284991 /nfs/dbraw/zinc/28/49/91/188284991.db2.gz QZIYGIUNSQQLNA-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Nc1ccc(F)cc1COc1ccc(F)cc1 ZINC000035308722 181712196 /nfs/dbraw/zinc/71/21/96/181712196.db2.gz YZVMSCHXQINGCC-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN Cc1ccc(OCc2cc(F)ccc2N)cc1 ZINC000035308749 178814970 /nfs/dbraw/zinc/81/49/70/178814970.db2.gz KLMOLJZWSODFRT-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN CCC(C)(C)OCc1cc(F)ccc1N ZINC000035308842 168303781 /nfs/dbraw/zinc/30/37/81/168303781.db2.gz WNVTXJQEOSILCO-UHFFFAOYSA-N 0 0 211.280 3.113 10 0 BGAERN Nc1ccc(F)cc1CSc1ccccn1 ZINC000035308918 181711458 /nfs/dbraw/zinc/71/14/58/181711458.db2.gz BHQXGXMCJWQNSD-UHFFFAOYSA-N 0 0 234.299 3.095 10 0 BGAERN Cc1cc(-c2ccccc2Br)n[nH]1 ZINC000035323172 343293862 /nfs/dbraw/zinc/29/38/62/343293862.db2.gz NMNMDRKHGHDWFF-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN CC(C)(C)c1cc(C=O)cc2c1OC(C)(C)OC2 ZINC000035325221 345849695 /nfs/dbraw/zinc/84/96/95/345849695.db2.gz HKCIVPFTNWNNAF-UHFFFAOYSA-N 0 0 248.322 3.442 10 0 BGAERN CCCN(CC)c1ccc(N)c2cnccc21 ZINC000035332907 169134463 /nfs/dbraw/zinc/13/44/63/169134463.db2.gz HQCYIDVIAMGORK-UHFFFAOYSA-N 0 0 229.327 3.053 10 0 BGAERN CC[C@H](C)N(C)c1ccc(N)c2cnccc21 ZINC000035332916 171309013 /nfs/dbraw/zinc/30/90/13/171309013.db2.gz AKBJTMQDZPEOCQ-JTQLQIEISA-N 0 0 229.327 3.052 10 0 BGAERN CCC(C)(C)Oc1ccc(N)c2cnccc12 ZINC000035333210 168304797 /nfs/dbraw/zinc/30/47/97/168304797.db2.gz TXTHJVROTOGVMV-UHFFFAOYSA-N 0 0 230.311 3.384 10 0 BGAERN CCCSc1ccc(N)c2cnccc12 ZINC000035333340 169341303 /nfs/dbraw/zinc/34/13/03/169341303.db2.gz MBMOLXAIFUKLHM-UHFFFAOYSA-N 0 0 218.325 3.319 10 0 BGAERN CC[C@@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340488 170759600 /nfs/dbraw/zinc/75/96/00/170759600.db2.gz LSMXTFXMGZGQAX-SECBINFHSA-N 0 0 215.300 3.027 10 0 BGAERN CC[C@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340490 171349418 /nfs/dbraw/zinc/34/94/18/171349418.db2.gz LSMXTFXMGZGQAX-VIFPVBQESA-N 0 0 215.300 3.027 10 0 BGAERN CCC(CC)Nc1ccc(N)c2ncccc12 ZINC000035340497 168394069 /nfs/dbraw/zinc/39/40/69/168394069.db2.gz QFMWEOVDGJHBPN-UHFFFAOYSA-N 0 0 229.327 3.418 10 0 BGAERN CCC[C@@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340515 169371490 /nfs/dbraw/zinc/37/14/90/169371490.db2.gz LYOOGCZKFCGIDH-SNVBAGLBSA-N 0 0 229.327 3.418 10 0 BGAERN Nc1ccc(NCc2ccccc2)c2cccnc12 ZINC000035340521 357191584 /nfs/dbraw/zinc/19/15/84/357191584.db2.gz CUERUSFQIPTLTI-UHFFFAOYSA-N 0 0 249.317 3.429 10 0 BGAERN CC(C)CCNc1ccc(N)c2ncccc12 ZINC000035340540 166867806 /nfs/dbraw/zinc/86/78/06/166867806.db2.gz UEQIHRRDDRMIJS-UHFFFAOYSA-N 0 0 229.327 3.275 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc(N)c2ncccc12 ZINC000035340599 167385065 /nfs/dbraw/zinc/38/50/65/167385065.db2.gz FBYOLSVNGMTSRO-SNVBAGLBSA-N 0 0 229.327 3.273 10 0 BGAERN CCC(C)(C)Nc1ccc(N)c2ncccc12 ZINC000035340605 168302896 /nfs/dbraw/zinc/30/28/96/168302896.db2.gz XUAYKYCOBSIFNQ-UHFFFAOYSA-N 0 0 229.327 3.418 10 0 BGAERN CCCN(CC)c1ccc(N)c2ncccc12 ZINC000035340771 169133760 /nfs/dbraw/zinc/13/37/60/169133760.db2.gz YOVXWJJHINQHHM-UHFFFAOYSA-N 0 0 229.327 3.053 10 0 BGAERN CC[C@H](C)N(C)c1ccc(N)c2ncccc12 ZINC000035340782 171309979 /nfs/dbraw/zinc/30/99/79/171309979.db2.gz YUQSOXRQAGHAEY-JTQLQIEISA-N 0 0 229.327 3.052 10 0 BGAERN CCC(C)(C)Oc1ccc(N)c2ncccc12 ZINC000035341000 168303725 /nfs/dbraw/zinc/30/37/25/168303725.db2.gz ICHIUAKNFVFRLY-UHFFFAOYSA-N 0 0 230.311 3.384 10 0 BGAERN CCCSc1ccc(N)c2ncccc12 ZINC000035341083 169341367 /nfs/dbraw/zinc/34/13/67/169341367.db2.gz HSGFSRHCFJTEQR-UHFFFAOYSA-N 0 0 218.325 3.319 10 0 BGAERN CC[C@@H](C)Nc1ccc(N)c2cccnc12 ZINC000035341840 170760314 /nfs/dbraw/zinc/76/03/14/170760314.db2.gz BNULHBZRGNGEDT-SECBINFHSA-N 0 0 215.300 3.027 10 0 BGAERN CC[C@H](C)Nc1ccc(N)c2cccnc12 ZINC000035341842 171349957 /nfs/dbraw/zinc/34/99/57/171349957.db2.gz BNULHBZRGNGEDT-VIFPVBQESA-N 0 0 215.300 3.027 10 0 BGAERN CCC(CC)Nc1ccc(N)c2cccnc12 ZINC000035341847 168393524 /nfs/dbraw/zinc/39/35/24/168393524.db2.gz TWQKNERQAIVMQE-UHFFFAOYSA-N 0 0 229.327 3.418 10 0 BGAERN Nc1ccc(NCc2ccccc2)c2ncccc12 ZINC000035341871 357191576 /nfs/dbraw/zinc/19/15/76/357191576.db2.gz FGQRARXBHUARET-UHFFFAOYSA-N 0 0 249.317 3.429 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc(N)c2cccnc12 ZINC000035341964 167386333 /nfs/dbraw/zinc/38/63/33/167386333.db2.gz IHRLYDXPIZSSMS-SNVBAGLBSA-N 0 0 229.327 3.273 10 0 BGAERN CCC(C)(C)Nc1ccc(N)c2cccnc12 ZINC000035341973 168303114 /nfs/dbraw/zinc/30/31/14/168303114.db2.gz VVDQACQFUDOXPA-UHFFFAOYSA-N 0 0 229.327 3.418 10 0 BGAERN CCCN(CC)c1ccc(N)c2cccnc21 ZINC000035342121 169133660 /nfs/dbraw/zinc/13/36/60/169133660.db2.gz BXNVOTOSTYOSCQ-UHFFFAOYSA-N 0 0 229.327 3.053 10 0 BGAERN CC[C@H](C)N(C)c1ccc(N)c2cccnc21 ZINC000035342126 171309536 /nfs/dbraw/zinc/30/95/36/171309536.db2.gz QYNCOWGGDHVKAY-JTQLQIEISA-N 0 0 229.327 3.052 10 0 BGAERN CCCSc1ccc(N)c2cccnc12 ZINC000035342334 169341271 /nfs/dbraw/zinc/34/12/71/169341271.db2.gz HXVWAESENRBWKP-UHFFFAOYSA-N 0 0 218.325 3.319 10 0 BGAERN CCN(CC)c1cc2nc(C)sc2cc1N ZINC000035342361 169803403 /nfs/dbraw/zinc/80/34/03/169803403.db2.gz JFSJVCLHCFRPTP-UHFFFAOYSA-N 0 0 235.356 3.033 10 0 BGAERN Cc1nc2cc(N(C)C(C)C)c(N)cc2s1 ZINC000035342371 180081907 /nfs/dbraw/zinc/08/19/07/180081907.db2.gz YPFUVQQMLCBWEF-UHFFFAOYSA-N 0 0 235.356 3.032 10 0 BGAERN Cc1nc2cc(NC(C)C)c(N)cc2s1 ZINC000035342428 180081995 /nfs/dbraw/zinc/08/19/95/180081995.db2.gz BRZPCIHYDNDKJL-UHFFFAOYSA-N 0 0 221.329 3.007 10 0 BGAERN CC[C@@H](C)Nc1cc2nc(C)sc2cc1N ZINC000035342430 170759540 /nfs/dbraw/zinc/75/95/40/170759540.db2.gz RPQURKLRXMZZMH-SSDOTTSWSA-N 0 0 235.356 3.397 10 0 BGAERN CC[C@H](C)Nc1cc2nc(C)sc2cc1N ZINC000035342431 171349946 /nfs/dbraw/zinc/34/99/46/171349946.db2.gz RPQURKLRXMZZMH-ZETCQYMHSA-N 0 0 235.356 3.397 10 0 BGAERN Cc1nc2cc(NCC(C)C)c(N)cc2s1 ZINC000035342433 180083268 /nfs/dbraw/zinc/08/32/68/180083268.db2.gz RWQGPZIDHQRGMM-UHFFFAOYSA-N 0 0 235.356 3.255 10 0 BGAERN Cc1nc2cc(NC(C)(C)C)c(N)cc2s1 ZINC000035342533 180082044 /nfs/dbraw/zinc/08/20/44/180082044.db2.gz MFDDKQMJFFYUOS-UHFFFAOYSA-N 0 0 235.356 3.397 10 0 BGAERN CCN(c1cc2nc(C)sc2cc1N)C(C)C ZINC000035342707 169941770 /nfs/dbraw/zinc/94/17/70/169941770.db2.gz FFCDOZOLXDTXJE-UHFFFAOYSA-N 0 0 249.383 3.422 10 0 BGAERN CCCN(CC)c1cc2nc(C)sc2cc1N ZINC000035342717 169132988 /nfs/dbraw/zinc/13/29/88/169132988.db2.gz HGDJIMHEKWERPY-UHFFFAOYSA-N 0 0 249.383 3.423 10 0 BGAERN CCCN(C)c1cc2nc(C)sc2cc1N ZINC000035342720 169088798 /nfs/dbraw/zinc/08/87/98/169088798.db2.gz COHFKZHPKWNEBP-UHFFFAOYSA-N 0 0 235.356 3.033 10 0 BGAERN Cc1nc2cc(N(C)CC(C)C)c(N)cc2s1 ZINC000035342723 180081588 /nfs/dbraw/zinc/08/15/88/180081588.db2.gz INYVELYJIWMVKH-UHFFFAOYSA-N 0 0 249.383 3.279 10 0 BGAERN CC[C@H](C)N(C)c1cc2nc(C)sc2cc1N ZINC000035342726 171309810 /nfs/dbraw/zinc/30/98/10/171309810.db2.gz CJZODGIOXJIFST-QMMMGPOBSA-N 0 0 249.383 3.422 10 0 BGAERN Cc1nc2cc(NCC3CCC3)c(N)cc2s1 ZINC000035342729 180084363 /nfs/dbraw/zinc/08/43/63/180084363.db2.gz HKNUJJDVPJGMKA-UHFFFAOYSA-N 0 0 247.367 3.399 10 0 BGAERN Cc1nc2cc(OCC(C)C)c(N)cc2s1 ZINC000035342866 180083335 /nfs/dbraw/zinc/08/33/35/180083335.db2.gz DSYKCWWZKNMGKU-UHFFFAOYSA-N 0 0 236.340 3.222 10 0 BGAERN Cc1nc2cc(OC(C)(C)C)c(N)cc2s1 ZINC000035342962 180083385 /nfs/dbraw/zinc/08/33/85/180083385.db2.gz WPPXBNJDBHURFZ-UHFFFAOYSA-N 0 0 236.340 3.364 10 0 BGAERN CCSc1cc2nc(C)sc2cc1N ZINC000035343079 170653794 /nfs/dbraw/zinc/65/37/94/170653794.db2.gz YJHOZPRGVNZKGO-UHFFFAOYSA-N 0 0 224.354 3.299 10 0 BGAERN CC[C@H](C)Nc1ccc2cc(N)ccc2n1 ZINC000035343254 171349645 /nfs/dbraw/zinc/34/96/45/171349645.db2.gz ZVXSCSPWGUPQCG-VIFPVBQESA-N 0 0 215.300 3.027 10 0 BGAERN CCC(CC)Nc1ccc2cc(N)ccc2n1 ZINC000035343263 168393939 /nfs/dbraw/zinc/39/39/39/168393939.db2.gz FSVJAZIFRVADQS-UHFFFAOYSA-N 0 0 229.327 3.418 10 0 BGAERN CCC[C@@H](C)Nc1ccc2cc(N)ccc2n1 ZINC000035343292 169372758 /nfs/dbraw/zinc/37/27/58/169372758.db2.gz UPCXBLAXUXLTIK-SNVBAGLBSA-N 0 0 229.327 3.418 10 0 BGAERN Nc1ccc2nc(NCc3ccccc3)ccc2c1 ZINC000035343300 357192048 /nfs/dbraw/zinc/19/20/48/357192048.db2.gz VETGTFZZARURME-UHFFFAOYSA-N 0 0 249.317 3.429 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc2cc(N)ccc2n1 ZINC000035343432 167387983 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CCN[C@@H](c1ccoc1)c1cc(F)ccc1F ZINC000035543390 170149159 /nfs/dbraw/zinc/14/91/59/170149159.db2.gz MEYDIMDZEPGABW-ZDUSSCGKSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@H](c1ccoc1)c1cc(F)ccc1F ZINC000035543392 170164674 /nfs/dbraw/zinc/16/46/74/170164674.db2.gz MEYDIMDZEPGABW-CYBMUJFWSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@H](c1ccco1)c1ccc(F)cc1F ZINC000035547243 170164698 /nfs/dbraw/zinc/16/46/98/170164698.db2.gz YAXLXGXGAHLQNI-ZDUSSCGKSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@@H](c1ccco1)c1ccc(F)cc1F ZINC000035547245 170148336 /nfs/dbraw/zinc/14/83/36/170148336.db2.gz YAXLXGXGAHLQNI-CYBMUJFWSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@@H](c1ccoc1)c1ccc(F)cc1F ZINC000035547247 170149492 /nfs/dbraw/zinc/14/94/92/170149492.db2.gz LMWOORYCIXWFSV-ZDUSSCGKSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@H](c1ccoc1)c1ccc(F)cc1F ZINC000035547249 170165251 /nfs/dbraw/zinc/16/52/51/170165251.db2.gz LMWOORYCIXWFSV-CYBMUJFWSA-N 0 0 237.249 3.257 10 0 BGAERN CCN[C@@H](c1ccc(F)c(F)c1)C(F)(F)F ZINC000035548667 170147940 /nfs/dbraw/zinc/14/79/40/170147940.db2.gz JXEIPDAIQVLYCY-VIFPVBQESA-N 0 0 239.187 3.178 10 0 BGAERN CCN[C@H](c1ccc(F)c(F)c1)C(F)(F)F ZINC000035548670 170164177 /nfs/dbraw/zinc/16/41/77/170164177.db2.gz JXEIPDAIQVLYCY-SECBINFHSA-N 0 0 239.187 3.178 10 0 BGAERN Clc1ccccc1-c1nnc2ccccn21 ZINC000035551906 343298079 /nfs/dbraw/zinc/29/80/79/343298079.db2.gz MFIQRTJGUCNKRB-UHFFFAOYSA-N 0 0 229.670 3.050 10 0 BGAERN CCN[C@@H](c1ccco1)c1cc(F)ccc1OC ZINC000035554262 170148198 /nfs/dbraw/zinc/14/81/98/170148198.db2.gz NSBBMZSHTOAEKH-CQSZACIVSA-N 0 0 249.285 3.126 10 0 BGAERN CCN[C@H](c1ccco1)c1cc(F)ccc1OC ZINC000035554266 170165087 /nfs/dbraw/zinc/16/50/87/170165087.db2.gz NSBBMZSHTOAEKH-AWEZNQCLSA-N 0 0 249.285 3.126 10 0 BGAERN CCN[C@@H](c1ccoc1)c1cc(F)ccc1OC ZINC000035554269 170150024 /nfs/dbraw/zinc/15/00/24/170150024.db2.gz YEUCUTTUMGFPLE-AWEZNQCLSA-N 0 0 249.285 3.126 10 0 BGAERN CCN[C@H](c1ccoc1)c1cc(F)ccc1OC ZINC000035554273 170164766 /nfs/dbraw/zinc/16/47/66/170164766.db2.gz YEUCUTTUMGFPLE-CQSZACIVSA-N 0 0 249.285 3.126 10 0 BGAERN COCC1c2ccccc2-c2ccccc21 ZINC000035565087 174120332 /nfs/dbraw/zinc/12/03/32/174120332.db2.gz WURHPLIPQZPMMP-UHFFFAOYSA-N 0 0 210.276 3.445 10 0 BGAERN CCCc1ccc2c(ccc(OC)c2N)c1 ZINC000035572129 343298616 /nfs/dbraw/zinc/29/86/16/343298616.db2.gz AWPTXMAEWPMHSM-UHFFFAOYSA-N 0 0 215.296 3.383 10 0 BGAERN O=Cc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000035576519 358003831 /nfs/dbraw/zinc/00/38/31/358003831.db2.gz XQRNVTKXXVUZJP-UHFFFAOYSA-N 0 0 240.262 3.143 10 0 BGAERN c1csc([C@@H]2CC(c3ccccc3)=NN2)c1 ZINC000035576640 183388684 /nfs/dbraw/zinc/38/86/84/183388684.db2.gz XXQMCEOHIKBWSD-LBPRGKRZSA-N 0 0 228.320 3.187 10 0 BGAERN c1csc([C@H]2CC(c3ccccc3)=NN2)c1 ZINC000035576643 183388901 /nfs/dbraw/zinc/38/89/01/183388901.db2.gz XXQMCEOHIKBWSD-GFCCVEGCSA-N 0 0 228.320 3.187 10 0 BGAERN CC[C@H](O)c1ccccc1OCc1cscn1 ZINC000035625845 171581729 /nfs/dbraw/zinc/58/17/29/171581729.db2.gz SFJRFFPARVGTLR-LBPRGKRZSA-N 0 0 249.335 3.166 10 0 BGAERN CC[C@@H](O)c1ccccc1OCc1cscn1 ZINC000035625846 170939086 /nfs/dbraw/zinc/93/90/86/170939086.db2.gz SFJRFFPARVGTLR-GFCCVEGCSA-N 0 0 249.335 3.166 10 0 BGAERN C[C@H](O)c1ccc(OCc2ccccc2F)cc1 ZINC000035626349 177017357 /nfs/dbraw/zinc/01/73/57/177017357.db2.gz IASDECMNUCKKQJ-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1ccc(OCc2ccccc2F)cc1 ZINC000035626350 175999526 /nfs/dbraw/zinc/99/95/26/175999526.db2.gz IASDECMNUCKKQJ-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN C[C@H](O)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000035626389 177017118 /nfs/dbraw/zinc/01/71/18/177017118.db2.gz QLAOEBNKQHEOLC-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN COc1cc([C@H](C)O)ccc1OC1CCCC1 ZINC000035626669 175015772 /nfs/dbraw/zinc/01/57/72/175015772.db2.gz ONQYMJHLPYDALT-JTQLQIEISA-N 0 0 236.311 3.070 10 0 BGAERN COc1cc([C@@H](C)O)ccc1OC1CCCC1 ZINC000035626670 175013877 /nfs/dbraw/zinc/01/38/77/175013877.db2.gz ONQYMJHLPYDALT-SNVBAGLBSA-N 0 0 236.311 3.070 10 0 BGAERN COc1cc([C@H](C)O)ccc1OCC=C(C)C ZINC000035626725 175015618 /nfs/dbraw/zinc/01/56/18/175015618.db2.gz GKBYGOZROULHJX-NSHDSACASA-N 0 0 236.311 3.094 10 0 BGAERN COc1cc([C@@H](C)O)ccc1OCC=C(C)C ZINC000035626726 175014601 /nfs/dbraw/zinc/01/46/01/175014601.db2.gz GKBYGOZROULHJX-LLVKDONJSA-N 0 0 236.311 3.094 10 0 BGAERN Cc1nc(COc2ccccc2[C@@H](C)O)cs1 ZINC000035626966 179979491 /nfs/dbraw/zinc/97/94/91/179979491.db2.gz LKNLWCXKGAKGID-SECBINFHSA-N 0 0 249.335 3.084 10 0 BGAERN Cc1nc(COc2ccccc2[C@H](C)O)cs1 ZINC000035626967 179979484 /nfs/dbraw/zinc/97/94/84/179979484.db2.gz LKNLWCXKGAKGID-VIFPVBQESA-N 0 0 249.335 3.084 10 0 BGAERN C[C@H](O)c1ccccc1OCc1ccccc1F ZINC000035627070 177017891 /nfs/dbraw/zinc/01/78/91/177017891.db2.gz ONDZMOMAUPXIIT-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1ccccc1OCc1ccccc1F ZINC000035627071 176000074 /nfs/dbraw/zinc/00/00/74/176000074.db2.gz ONDZMOMAUPXIIT-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN C[C@H](O)c1ccccc1OC1CCCC1 ZINC000035627122 177017778 /nfs/dbraw/zinc/01/77/78/177017778.db2.gz VYVYVPUDRBHUOD-JTQLQIEISA-N 0 0 206.285 3.061 10 0 BGAERN C[C@H](O)c1ccccc1OCCc1ccccc1 ZINC000035627148 177018208 /nfs/dbraw/zinc/01/82/08/177018208.db2.gz STADFPGXVMODLG-ZDUSSCGKSA-N 0 0 242.318 3.361 10 0 BGAERN C[C@H](O)c1cccc(OCc2cccc(F)c2)c1 ZINC000035627528 639765063 /nfs/dbraw/zinc/76/50/63/639765063.db2.gz LKOLJHSJUGBFFI-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1cccc(OCc2cccc(F)c2)c1 ZINC000035627529 175999082 /nfs/dbraw/zinc/99/90/82/175999082.db2.gz LKOLJHSJUGBFFI-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN Cc1nc(COc2cccc([C@@H](C)O)c2)cs1 ZINC000035627723 179979677 /nfs/dbraw/zinc/97/96/77/179979677.db2.gz LUWQXCYBSULMKE-SECBINFHSA-N 0 0 249.335 3.084 10 0 BGAERN Cc1nc(COc2cccc([C@H](C)O)c2)cs1 ZINC000035627724 633836571 /nfs/dbraw/zinc/83/65/71/633836571.db2.gz LUWQXCYBSULMKE-VIFPVBQESA-N 0 0 249.335 3.084 10 0 BGAERN C[C@H](O)c1cccc(OCc2ccccc2F)c1 ZINC000035627811 177017543 /nfs/dbraw/zinc/01/75/43/177017543.db2.gz RYGFEYHKKSJZLK-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1cccc(OCc2ccccc2F)c1 ZINC000035627812 639764322 /nfs/dbraw/zinc/76/43/22/639764322.db2.gz RYGFEYHKKSJZLK-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN C[C@H](O)c1cccc(OC2CCCC2)c1 ZINC000035627837 177016970 /nfs/dbraw/zinc/01/69/70/177016970.db2.gz NOHICULOGKMILM-JTQLQIEISA-N 0 0 206.285 3.061 10 0 BGAERN C[C@@H](O)c1cccc(OC2CCCC2)c1 ZINC000035627838 633836521 /nfs/dbraw/zinc/83/65/21/633836521.db2.gz NOHICULOGKMILM-SNVBAGLBSA-N 0 0 206.285 3.061 10 0 BGAERN C[C@H](O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000035627855 177017550 /nfs/dbraw/zinc/01/75/50/177017550.db2.gz OVXXQWAKSIAZDS-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1cccc(OCc2ccc(F)cc2)c1 ZINC000035627856 175999388 /nfs/dbraw/zinc/99/93/88/175999388.db2.gz OVXXQWAKSIAZDS-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN C[C@H](O)c1cccc(OCCc2ccccc2)c1 ZINC000035627863 177017602 /nfs/dbraw/zinc/01/76/02/177017602.db2.gz XWQZXNLABRNXMW-ZDUSSCGKSA-N 0 0 242.318 3.361 10 0 BGAERN C[C@@H](O)c1cccc(OCCc2ccccc2)c1 ZINC000035627864 633836615 /nfs/dbraw/zinc/83/66/15/633836615.db2.gz XWQZXNLABRNXMW-CYBMUJFWSA-N 0 0 242.318 3.361 10 0 BGAERN CC(C)=CCOc1cccc([C@H](C)O)c1 ZINC000035627899 633837930 /nfs/dbraw/zinc/83/79/30/633837930.db2.gz XBNVBJJWQUBDBD-NSHDSACASA-N 0 0 206.285 3.085 10 0 BGAERN CC(C)=CCOc1cccc([C@@H](C)O)c1 ZINC000035627900 633838066 /nfs/dbraw/zinc/83/80/66/633838066.db2.gz XBNVBJJWQUBDBD-LLVKDONJSA-N 0 0 206.285 3.085 10 0 BGAERN Cc1ccc(OCc2cscn2)c([C@H](C)O)c1 ZINC000035630013 178815854 /nfs/dbraw/zinc/81/58/54/178815854.db2.gz PZIVGNCFDQQWGQ-JTQLQIEISA-N 0 0 249.335 3.084 10 0 BGAERN O=Cc1cncc(-c2ccc(Cl)cc2)c1 ZINC000035630022 383864757 /nfs/dbraw/zinc/86/47/57/383864757.db2.gz ZMKSDBAOUPRHQA-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN COc1ccc(-c2ccc(C=O)s2)cc1OC ZINC000035630221 175032949 /nfs/dbraw/zinc/03/29/49/175032949.db2.gz RYWMFBDNTBDBSG-UHFFFAOYSA-N 0 0 248.303 3.245 10 0 BGAERN Cc1ccc(OC2CCCC2)c([C@H](C)O)c1 ZINC000035630401 178808736 /nfs/dbraw/zinc/80/87/36/178808736.db2.gz GMOPAGJGEFPUPZ-NSHDSACASA-N 0 0 220.312 3.370 10 0 BGAERN Cc1ccc(OCc2ccncc2)c([C@H](C)O)c1 ZINC000035630403 178816685 /nfs/dbraw/zinc/81/66/85/178816685.db2.gz QZROYJDGAVNQEI-LBPRGKRZSA-N 0 0 243.306 3.022 10 0 BGAERN OCc1c(OC/C=C/Cl)ccc2ccccc21 ZINC000035630885 183160926 /nfs/dbraw/zinc/16/09/26/183160926.db2.gz ZSWIJKKQRCFBRC-FPYGCLRLSA-N 0 0 248.709 3.463 10 0 BGAERN CC(C)Oc1ccc2ccccc2c1CO ZINC000035630950 167305477 /nfs/dbraw/zinc/30/54/77/167305477.db2.gz SAHVYLCPFZBHLK-UHFFFAOYSA-N 0 0 216.280 3.119 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCC(C)CC1 ZINC000035631046 132338548 /nfs/dbraw/zinc/33/85/48/132338548.db2.gz DXNMTLNBJCIHIS-LLVKDONJSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@H](O)c1c(F)cccc1N1CCC(C)CC1 ZINC000035631047 132338547 /nfs/dbraw/zinc/33/85/47/132338547.db2.gz DXNMTLNBJCIHIS-NSHDSACASA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCC(C)CC1 ZINC000035631050 132338518 /nfs/dbraw/zinc/33/85/18/132338518.db2.gz WTJVEWDFINQRNR-LLVKDONJSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@H](O)c1cc(F)ccc1N1CCC(C)CC1 ZINC000035631051 132338434 /nfs/dbraw/zinc/33/84/34/132338434.db2.gz WTJVEWDFINQRNR-NSHDSACASA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000035631052 132338577 /nfs/dbraw/zinc/33/85/77/132338577.db2.gz PEYNTIAGJRJUPZ-LLVKDONJSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@H](O)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000035631053 132338581 /nfs/dbraw/zinc/33/85/81/132338581.db2.gz PEYNTIAGJRJUPZ-NSHDSACASA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCCC[C@H]1C ZINC000035631084 132338600 /nfs/dbraw/zinc/33/86/00/132338600.db2.gz IZZWMFFLUBRQGU-GHMZBOCLSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCCC[C@@H]1C ZINC000035631085 132338576 /nfs/dbraw/zinc/33/85/76/132338576.db2.gz IZZWMFFLUBRQGU-WDEREUQCSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCCC[C@H]1C ZINC000035631088 132338431 /nfs/dbraw/zinc/33/84/31/132338431.db2.gz GFBXBLFFDAQRCX-GHMZBOCLSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCCC[C@@H]1C ZINC000035631089 132338565 /nfs/dbraw/zinc/33/85/65/132338565.db2.gz GFBXBLFFDAQRCX-WDEREUQCSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1ccc(N2CCCC[C@H]2C)c(F)c1 ZINC000035631090 132338419 /nfs/dbraw/zinc/33/84/19/132338419.db2.gz OYFYZCBAMDKCTC-GHMZBOCLSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1ccc(N2CCCC[C@@H]2C)c(F)c1 ZINC000035631091 132338646 /nfs/dbraw/zinc/33/86/46/132338646.db2.gz OYFYZCBAMDKCTC-WDEREUQCSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCC[C@@H](C)C1 ZINC000035631127 132338904 /nfs/dbraw/zinc/33/89/04/132338904.db2.gz BZUDFDIODOJCAI-GHMZBOCLSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCC[C@H](C)C1 ZINC000035631128 132338709 /nfs/dbraw/zinc/33/87/09/132338709.db2.gz BZUDFDIODOJCAI-WDEREUQCSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCC[C@@H](C)C1 ZINC000035631131 132338811 /nfs/dbraw/zinc/33/88/11/132338811.db2.gz LGANOHLIYSXIEO-GHMZBOCLSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCC[C@H](C)C1 ZINC000035631132 132338803 /nfs/dbraw/zinc/33/88/03/132338803.db2.gz LGANOHLIYSXIEO-WDEREUQCSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000035631133 132338870 /nfs/dbraw/zinc/33/88/70/132338870.db2.gz DVDKZBXJQYUYCT-GHMZBOCLSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@@H](O)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000035631134 132338847 /nfs/dbraw/zinc/33/88/47/132338847.db2.gz DVDKZBXJQYUYCT-WDEREUQCSA-N 0 0 237.318 3.115 10 0 BGAERN C[C@H](O)c1c(F)cccc1N1CCCCCC1 ZINC000035631137 177015526 /nfs/dbraw/zinc/01/55/26/177015526.db2.gz XYBIKVCOZGDLLP-NSHDSACASA-N 0 0 237.318 3.259 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N1CCCCCC1 ZINC000035631138 175997547 /nfs/dbraw/zinc/99/75/47/175997547.db2.gz XYBIKVCOZGDLLP-LLVKDONJSA-N 0 0 237.318 3.259 10 0 BGAERN C[C@H](O)c1cc(F)ccc1N1CCCCCC1 ZINC000035631139 177016554 /nfs/dbraw/zinc/01/65/54/177016554.db2.gz YXHCBIJXIFDRGF-NSHDSACASA-N 0 0 237.318 3.259 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N1CCCCCC1 ZINC000035631140 175998660 /nfs/dbraw/zinc/99/86/60/175998660.db2.gz YXHCBIJXIFDRGF-LLVKDONJSA-N 0 0 237.318 3.259 10 0 BGAERN C[C@H](O)c1ccc(N2CCCCCC2)c(F)c1 ZINC000035631141 177017382 /nfs/dbraw/zinc/01/73/82/177017382.db2.gz SVEFHOFJMQDYHJ-NSHDSACASA-N 0 0 237.318 3.259 10 0 BGAERN C[C@@H](O)c1ccc(N2CCCCCC2)c(F)c1 ZINC000035631142 343300904 /nfs/dbraw/zinc/30/09/04/343300904.db2.gz SVEFHOFJMQDYHJ-LLVKDONJSA-N 0 0 237.318 3.259 10 0 BGAERN C[C@H](O)c1c(F)cccc1N(C)C1CCCC1 ZINC000035631626 177016112 /nfs/dbraw/zinc/01/61/12/177016112.db2.gz LJHNJMGIFGGFCX-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N(C)C1CCCC1 ZINC000035631627 175997430 /nfs/dbraw/zinc/99/74/30/175997430.db2.gz LJHNJMGIFGGFCX-SNVBAGLBSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@H](O)c1cc(F)ccc1N(C)C1CCCC1 ZINC000035631630 177016698 /nfs/dbraw/zinc/01/66/98/177016698.db2.gz LLYIENPVFXSPAX-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1N(C)C1CCCC1 ZINC000035631631 175998851 /nfs/dbraw/zinc/99/88/51/175998851.db2.gz LLYIENPVFXSPAX-SNVBAGLBSA-N 0 0 237.318 3.258 10 0 BGAERN C[C@H](O)c1ccc(N(C)C2CCCC2)c(F)c1 ZINC000035631632 177017385 /nfs/dbraw/zinc/01/73/85/177017385.db2.gz ANESYFWTLKCULL-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1cccc(F)c1[C@@H](C)O)C1CC1 ZINC000035631656 169183016 /nfs/dbraw/zinc/18/30/16/169183016.db2.gz CXHQGCPGCCFZCZ-SNVBAGLBSA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1cccc(F)c1[C@H](C)O)C1CC1 ZINC000035631657 169182996 /nfs/dbraw/zinc/18/29/96/169182996.db2.gz CXHQGCPGCCFZCZ-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1ccc(F)cc1[C@@H](C)O)C1CC1 ZINC000035631660 169182841 /nfs/dbraw/zinc/18/28/41/169182841.db2.gz PVLQXIJPFADKMW-SNVBAGLBSA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1ccc(F)cc1[C@H](C)O)C1CC1 ZINC000035631661 169182354 /nfs/dbraw/zinc/18/23/54/169182354.db2.gz PVLQXIJPFADKMW-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1ccc([C@@H](C)O)cc1F)C1CC1 ZINC000035631662 169182391 /nfs/dbraw/zinc/18/23/91/169182391.db2.gz SRYSRXOHRDUJKW-SNVBAGLBSA-N 0 0 237.318 3.258 10 0 BGAERN CCCN(c1ccc([C@H](C)O)cc1F)C1CC1 ZINC000035631663 169183011 /nfs/dbraw/zinc/18/30/11/169183011.db2.gz SRYSRXOHRDUJKW-JTQLQIEISA-N 0 0 237.318 3.258 10 0 BGAERN CC[C@H](C)CN(C)c1cccc(F)c1[C@@H](C)O ZINC000035631727 171275782 /nfs/dbraw/zinc/27/57/82/171275782.db2.gz LUFBRQYPBCSUQA-WDEREUQCSA-N 0 0 239.334 3.361 10 0 BGAERN CC[C@@H](C)CN(C)c1ccc(F)cc1[C@@H](C)O ZINC000035631730 170699557 /nfs/dbraw/zinc/69/95/57/170699557.db2.gz SYCGKBMVKVOBGT-GHMZBOCLSA-N 0 0 239.334 3.361 10 0 BGAERN CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H](C)O ZINC000035631731 171275496 /nfs/dbraw/zinc/27/54/96/171275496.db2.gz SYCGKBMVKVOBGT-WDEREUQCSA-N 0 0 239.334 3.361 10 0 BGAERN CC[C@H](C)CN(C)c1ccc([C@@H](C)O)cc1F ZINC000035631733 171275648 /nfs/dbraw/zinc/27/56/48/171275648.db2.gz XSAMUMBKTHEKMI-WDEREUQCSA-N 0 0 239.334 3.361 10 0 BGAERN C[C@H](O)c1c(F)cccc1Oc1cccnc1 ZINC000035632522 177015868 /nfs/dbraw/zinc/01/58/68/177015868.db2.gz VRJAKDXAMLDXJG-VIFPVBQESA-N 0 0 233.242 3.066 10 0 BGAERN C[C@H](O)c1ccc(Oc2cccnc2)c(F)c1 ZINC000035632526 177016964 /nfs/dbraw/zinc/01/69/64/177016964.db2.gz QHVKRASLZLSAAK-VIFPVBQESA-N 0 0 233.242 3.066 10 0 BGAERN C[C@H](O)c1cc(F)ccc1Oc1cccnc1 ZINC000035632530 177016545 /nfs/dbraw/zinc/01/65/45/177016545.db2.gz QHVDYFWRJONHQZ-VIFPVBQESA-N 0 0 233.242 3.066 10 0 BGAERN C[C@@H](O)c1cc(F)ccc1Oc1cccnc1 ZINC000035632531 175998726 /nfs/dbraw/zinc/99/87/26/175998726.db2.gz QHVDYFWRJONHQZ-SECBINFHSA-N 0 0 233.242 3.066 10 0 BGAERN c1nc2ccc(N3CCCCC3)cc2s1 ZINC000035635928 132338790 /nfs/dbraw/zinc/33/87/90/132338790.db2.gz OGBXIDWJHRBZJK-UHFFFAOYSA-N 0 0 218.325 3.287 10 0 BGAERN C[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000035646013 177017331 /nfs/dbraw/zinc/01/73/31/177017331.db2.gz LDVZOQWNMPTCIW-JTQLQIEISA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000035646166 169353005 /nfs/dbraw/zinc/35/30/05/169353005.db2.gz CJOBWGINIOHESP-GHMZBOCLSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@H](C)C(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000035646168 169475265 /nfs/dbraw/zinc/47/52/65/169475265.db2.gz CJOBWGINIOHESP-WDEREUQCSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1ccc([C@H](C)O)cc1 ZINC000035646172 169352756 /nfs/dbraw/zinc/35/27/56/169352756.db2.gz CJOBWGINIOHESP-MNOVXSKESA-N 0 0 235.327 3.115 10 0 BGAERN CC(C)CCC(=O)Nc1ccc([C@H](C)O)cc1 ZINC000035646190 166798531 /nfs/dbraw/zinc/79/85/31/166798531.db2.gz YAEBNTXLOQXHTK-NSHDSACASA-N 0 0 235.327 3.115 10 0 BGAERN CCCCCC(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000035646266 168642542 /nfs/dbraw/zinc/64/25/42/168642542.db2.gz WGEXMHWCLDDTBD-LLVKDONJSA-N 0 0 235.327 3.259 10 0 BGAERN CCCCCC(=O)Nc1ccc([C@H](C)O)cc1 ZINC000035646268 168641588 /nfs/dbraw/zinc/64/15/88/168641588.db2.gz WGEXMHWCLDDTBD-NSHDSACASA-N 0 0 235.327 3.259 10 0 BGAERN CCC(CC)C(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000035646348 168341344 /nfs/dbraw/zinc/34/13/44/168341344.db2.gz SARCBBCREURZGW-SNVBAGLBSA-N 0 0 235.327 3.115 10 0 BGAERN CCC(CC)C(=O)Nc1ccc([C@H](C)O)cc1 ZINC000035646350 168341549 /nfs/dbraw/zinc/34/15/49/168341549.db2.gz SARCBBCREURZGW-JTQLQIEISA-N 0 0 235.327 3.115 10 0 BGAERN C[C@H](O)c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000035646400 177017545 /nfs/dbraw/zinc/01/75/45/177017545.db2.gz SPRHWTNZBRSKCJ-JTQLQIEISA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1cccc([C@@H](C)O)c1 ZINC000035646526 169352924 /nfs/dbraw/zinc/35/29/24/169352924.db2.gz FHAZRQCAWJSJBQ-GHMZBOCLSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000035646531 169353294 /nfs/dbraw/zinc/35/32/94/169353294.db2.gz FHAZRQCAWJSJBQ-MNOVXSKESA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@H](C)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000035646533 169474987 /nfs/dbraw/zinc/47/49/87/169474987.db2.gz FHAZRQCAWJSJBQ-QWRGUYRKSA-N 0 0 235.327 3.115 10 0 BGAERN CC(C)CCC(=O)Nc1cccc([C@@H](C)O)c1 ZINC000035646545 166797414 /nfs/dbraw/zinc/79/74/14/166797414.db2.gz ZHNMWPRWFNLHCL-LLVKDONJSA-N 0 0 235.327 3.115 10 0 BGAERN C[C@H](O)c1ccccc1NC(=O)CC(C)(C)C ZINC000035646705 177017948 /nfs/dbraw/zinc/01/79/48/177017948.db2.gz XVEVJUJHOIMGNC-JTQLQIEISA-N 0 0 235.327 3.115 10 0 BGAERN C[C@@H](O)c1ccccc1NC(=O)CC(C)(C)C ZINC000035646707 176000368 /nfs/dbraw/zinc/00/03/68/176000368.db2.gz XVEVJUJHOIMGNC-SNVBAGLBSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)O ZINC000035646865 169353025 /nfs/dbraw/zinc/35/30/25/169353025.db2.gz JXPALDZPMYRYSN-GHMZBOCLSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@H](C)C(=O)Nc1ccccc1[C@@H](C)O ZINC000035646867 169475087 /nfs/dbraw/zinc/47/50/87/169475087.db2.gz JXPALDZPMYRYSN-WDEREUQCSA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@@H](C)C(=O)Nc1ccccc1[C@H](C)O ZINC000035646869 169352793 /nfs/dbraw/zinc/35/27/93/169352793.db2.gz JXPALDZPMYRYSN-MNOVXSKESA-N 0 0 235.327 3.115 10 0 BGAERN CCC[C@H](C)C(=O)Nc1ccccc1[C@H](C)O ZINC000035646872 169474739 /nfs/dbraw/zinc/47/47/39/169474739.db2.gz JXPALDZPMYRYSN-QWRGUYRKSA-N 0 0 235.327 3.115 10 0 BGAERN CCCCCC(=O)Nc1ccccc1[C@@H](C)O ZINC000035646976 168641567 /nfs/dbraw/zinc/64/15/67/168641567.db2.gz FVNZHYVWHKFBNI-LLVKDONJSA-N 0 0 235.327 3.259 10 0 BGAERN CCC(CC)C(=O)Nc1ccccc1[C@@H](C)O ZINC000035647067 168340956 /nfs/dbraw/zinc/34/09/56/168340956.db2.gz LQKQVSPNRSKNGG-SNVBAGLBSA-N 0 0 235.327 3.115 10 0 BGAERN CCC(CC)C(=O)Nc1ccccc1[C@H](C)O ZINC000035647070 168341414 /nfs/dbraw/zinc/34/14/14/168341414.db2.gz LQKQVSPNRSKNGG-JTQLQIEISA-N 0 0 235.327 3.115 10 0 BGAERN COc1ccc(C[C@H](C)Nc2cccnc2)cc1 ZINC000035647667 175117372 /nfs/dbraw/zinc/11/73/72/175117372.db2.gz FJSUAQISXXSTQL-LBPRGKRZSA-N 0 0 242.322 3.133 10 0 BGAERN COc1ccc(C[C@@H](C)Nc2cccnc2)cc1 ZINC000035647669 175115712 /nfs/dbraw/zinc/11/57/12/175115712.db2.gz FJSUAQISXXSTQL-GFCCVEGCSA-N 0 0 242.322 3.133 10 0 BGAERN Cc1c(N)cccc1COC1CCCC1 ZINC000035649324 177613128 /nfs/dbraw/zinc/61/31/28/177613128.db2.gz MEJUFCDDBKARIM-UHFFFAOYSA-N 0 0 205.301 3.036 10 0 BGAERN COc1cccc(OCc2cccc(N)c2C)c1 ZINC000035649352 175283854 /nfs/dbraw/zinc/28/38/54/175283854.db2.gz YYOSIAZLNWDXLQ-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN Cc1ccccc1OCc1cccc(N)c1C ZINC000035649366 187257998 /nfs/dbraw/zinc/25/79/98/187257998.db2.gz PJGMEQZJZHBIJG-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN COc1ccccc1OCc1cccc(N)c1C ZINC000035649373 175341949 /nfs/dbraw/zinc/34/19/49/175341949.db2.gz HCAOUBJMEZFZBT-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN C[C@@H](O)c1ccccc1-n1cnc2ccccc21 ZINC000035650582 175999632 /nfs/dbraw/zinc/99/96/32/175999632.db2.gz ZQKWBHMGMMKCCA-LLVKDONJSA-N 0 0 238.290 3.079 10 0 BGAERN Cc1ccc(C)n1CCc1cccs1 ZINC000035651195 342753768 /nfs/dbraw/zinc/75/37/68/342753768.db2.gz ZUOPXKJTCZBCAE-UHFFFAOYSA-N 0 0 205.326 3.409 10 0 BGAERN FC(F)(F)Oc1cccc(-n2cccc2)c1 ZINC000035651201 180887794 /nfs/dbraw/zinc/88/77/94/180887794.db2.gz MLYHVNOIKOLWGA-UHFFFAOYSA-N 0 0 227.185 3.376 10 0 BGAERN Fc1cccc(F)c1NC1CCSCC1 ZINC000035652021 181000694 /nfs/dbraw/zinc/00/06/94/181000694.db2.gz JCGDALDPNLXNOH-UHFFFAOYSA-N 0 0 229.295 3.272 10 0 BGAERN O=C1COc2ccc(Oc3ccccc3)cc21 ZINC000035652487 343143103 /nfs/dbraw/zinc/14/31/03/343143103.db2.gz DRWISNSNEFMXOJ-UHFFFAOYSA-N 0 0 226.231 3.054 10 0 BGAERN CN(C)c1ccnc(-c2ccc(F)cc2F)c1 ZINC000035653841 343301309 /nfs/dbraw/zinc/30/13/09/343301309.db2.gz AVNIDFVWIHMKSA-UHFFFAOYSA-N 0 0 234.249 3.093 10 0 BGAERN Cc1ccnc(-c2cc(C)cc(Cl)n2)c1 ZINC000035653884 179415405 /nfs/dbraw/zinc/41/54/05/179415405.db2.gz YLUGLGAXDFMPSN-UHFFFAOYSA-N 0 0 218.687 3.414 10 0 BGAERN Cc1cc(Br)nc(-c2ccccn2)c1 ZINC000035653886 343301127 /nfs/dbraw/zinc/30/11/27/343301127.db2.gz PWTWDFUAIXTCTG-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Cc1ccc(-c2cccc(Br)n2)nc1 ZINC000035653888 178326232 /nfs/dbraw/zinc/32/62/32/178326232.db2.gz QBCBAEQKHOFINO-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Clc1ccnc(-c2cccc(Cl)n2)c1 ZINC000035653916 343301165 /nfs/dbraw/zinc/30/11/65/343301165.db2.gz BPLWIHFOULBPJP-UHFFFAOYSA-N 0 0 225.078 3.450 10 0 BGAERN CCSc1cccc(-c2ccccn2)n1 ZINC000035654013 343301215 /nfs/dbraw/zinc/30/12/15/343301215.db2.gz PYTAHXAHIXLUCM-UHFFFAOYSA-N 0 0 216.309 3.256 10 0 BGAERN CCCC[C@H](N)c1nc(-c2ccc(F)cc2)no1 ZINC000035660323 169008651 /nfs/dbraw/zinc/00/86/51/169008651.db2.gz MGEDUPLIKUQGJL-NSHDSACASA-N 0 0 249.289 3.066 10 0 BGAERN CCCC[C@@H](N)c1nc(-c2ccc(F)cc2)no1 ZINC000035660324 358017598 /nfs/dbraw/zinc/01/75/98/358017598.db2.gz MGEDUPLIKUQGJL-LLVKDONJSA-N 0 0 249.289 3.066 10 0 BGAERN CCCC[C@H](N)c1nc(-c2cccc(F)c2)no1 ZINC000035660472 169008795 /nfs/dbraw/zinc/00/87/95/169008795.db2.gz HKYBAUPYXXXELM-NSHDSACASA-N 0 0 249.289 3.066 10 0 BGAERN CCCC[C@@H](N)c1nc(-c2cccc(F)c2)no1 ZINC000035660473 358017714 /nfs/dbraw/zinc/01/77/14/358017714.db2.gz HKYBAUPYXXXELM-LLVKDONJSA-N 0 0 249.289 3.066 10 0 BGAERN O=Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035662258 383867246 /nfs/dbraw/zinc/86/72/46/383867246.db2.gz YCQQNUKUULYBSX-UHFFFAOYSA-N 0 0 241.020 3.407 10 0 BGAERN CC(C)Oc1c(Cl)cc(Cl)cc1CO ZINC000035662645 167285317 /nfs/dbraw/zinc/28/53/17/167285317.db2.gz HQFGMIMWJSQHDS-UHFFFAOYSA-N 0 0 235.110 3.273 10 0 BGAERN OCc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035662695 342755004 /nfs/dbraw/zinc/75/50/04/342755004.db2.gz PLKSAQWLSSUENE-UHFFFAOYSA-N 0 0 243.036 3.087 10 0 BGAERN COC(=O)CCOc1cc(C(C)C)ccc1C ZINC000035663451 173565808 /nfs/dbraw/zinc/56/58/08/173565808.db2.gz OLOOQEIQXAQYRH-UHFFFAOYSA-N 0 0 236.311 3.060 10 0 BGAERN CC(C)C[C@@H](C)Nc1nncc2ccccc21 ZINC000035663604 187257899 /nfs/dbraw/zinc/25/78/99/187257899.db2.gz ODWUJYPSAQVHJV-LLVKDONJSA-N 0 0 229.327 3.476 10 0 BGAERN Cc1cc(Nc2cccc(N)c2)nc(C(C)C)n1 ZINC000035663813 178193728 /nfs/dbraw/zinc/19/37/28/178193728.db2.gz UUKPABVDJCIJFR-UHFFFAOYSA-N 0 0 242.326 3.234 10 0 BGAERN Cc1cc(Oc2ccccc2N)nc(C(C)C)n1 ZINC000035663829 178215515 /nfs/dbraw/zinc/21/55/15/178215515.db2.gz UFZBSEAQIPTJBJ-UHFFFAOYSA-N 0 0 243.310 3.283 10 0 BGAERN Cc1cc(C)nc(Oc2ccc(Cl)cc2N)n1 ZINC000035676123 177947430 /nfs/dbraw/zinc/94/74/30/177947430.db2.gz BZPMIIDROMCHSF-UHFFFAOYSA-N 0 0 249.701 3.121 10 0 BGAERN 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/nfs/dbraw/zinc/77/69/96/178776996.db2.gz MIGNXBGIHNVDRC-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cc(N)ccc1N[C@@H](C)c1cccnc1 ZINC000035692027 178106545 /nfs/dbraw/zinc/10/65/45/178106545.db2.gz DDXBZBXQASKWQB-NSHDSACASA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cc(N)ccc1N[C@H](C)c1cccnc1 ZINC000035692028 178106973 /nfs/dbraw/zinc/10/69/73/178106973.db2.gz DDXBZBXQASKWQB-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cc(N[C@@H](C)c2ccncc2)ccc1N ZINC000035693151 178180401 /nfs/dbraw/zinc/18/04/01/178180401.db2.gz ZSOIYRDYAUCRIX-NSHDSACASA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cc(N[C@H](C)c2ccncc2)ccc1N ZINC000035693153 178187761 /nfs/dbraw/zinc/18/77/61/178187761.db2.gz ZSOIYRDYAUCRIX-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN Cc1ccc(N[C@H](C)c2ccncc2)c(N)c1 ZINC000035693185 178776464 /nfs/dbraw/zinc/77/64/64/178776464.db2.gz WAOPYNIIERYXKE-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cc(N)ccc1N[C@@H](C)c1ccncc1 ZINC000035693187 178106530 /nfs/dbraw/zinc/10/65/30/178106530.db2.gz 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BGAERN CCC[C@@H](C)c1nc(-c2ccc(N)cc2)no1 ZINC000035696751 169374149 /nfs/dbraw/zinc/37/41/49/169374149.db2.gz ASYMNOGOEMKJIM-SECBINFHSA-N 0 0 231.299 3.222 10 0 BGAERN CCC[C@H](C)c1nc(-c2ccc(N)cc2)no1 ZINC000035696753 169495717 /nfs/dbraw/zinc/49/57/17/169495717.db2.gz ASYMNOGOEMKJIM-VIFPVBQESA-N 0 0 231.299 3.222 10 0 BGAERN Nc1ccc(-c2noc(-c3ccsc3)n2)cc1 ZINC000035696787 343302410 /nfs/dbraw/zinc/30/24/10/343302410.db2.gz MPTCMQYFKIGRQD-UHFFFAOYSA-N 0 0 243.291 3.047 10 0 BGAERN Cc1ccc(CN(C)c2ccc(C)cc2N)o1 ZINC000035699222 178700355 /nfs/dbraw/zinc/70/03/55/178700355.db2.gz ULWUPCQBYHVFHB-UHFFFAOYSA-N 0 0 230.311 3.115 10 0 BGAERN Cc1ccc(CN(C)c2ccc(C=O)cc2)o1 ZINC000035699980 178556257 /nfs/dbraw/zinc/55/62/57/178556257.db2.gz PZHGTZSONZXXOF-UHFFFAOYSA-N 0 0 229.279 3.037 10 0 BGAERN CN(Cc1ccco1)c1c(N)cccc1Cl ZINC000035701175 172891832 /nfs/dbraw/zinc/89/18/32/172891832.db2.gz LUJRFCVQESIJDY-UHFFFAOYSA-N 0 0 236.702 3.152 10 0 BGAERN CN(Cc1ccco1)c1ccc(Cl)cc1N ZINC000035701195 172891410 /nfs/dbraw/zinc/89/14/10/172891410.db2.gz PYJZJMWFUGDRBL-UHFFFAOYSA-N 0 0 236.702 3.152 10 0 BGAERN CN(Cc1cccs1)c1ccc(F)cc1C=O ZINC000035717812 172895239 /nfs/dbraw/zinc/89/52/39/172895239.db2.gz LWWRPVMZLNTQRS-UHFFFAOYSA-N 0 0 249.310 3.336 10 0 BGAERN CN(Cc1cccs1)c1ccccc1C=O ZINC000035717822 343142974 /nfs/dbraw/zinc/14/29/74/343142974.db2.gz ANHPDFVDQAFECM-UHFFFAOYSA-N 0 0 231.320 3.197 10 0 BGAERN CN(Cc1cccs1)c1ccc(C=O)cc1 ZINC000035717824 383869575 /nfs/dbraw/zinc/86/95/75/383869575.db2.gz OQSQTNZVHFRWIX-UHFFFAOYSA-N 0 0 231.320 3.197 10 0 BGAERN C[C@H](O)c1ccccc1N(C)Cc1cccs1 ZINC000035717882 177017773 /nfs/dbraw/zinc/01/77/73/177017773.db2.gz OGQJIALLHQJHQH-NSHDSACASA-N 0 0 247.363 3.438 10 0 BGAERN C[C@H](O)c1ccc(N(C)Cc2cccs2)cc1 ZINC000035717889 177017177 /nfs/dbraw/zinc/01/71/77/177017177.db2.gz IKEFUZULFABVJG-NSHDSACASA-N 0 0 247.363 3.438 10 0 BGAERN C[C@H](O)c1ccccc1N(C)Cc1ccsc1 ZINC000035719480 177018235 /nfs/dbraw/zinc/01/82/35/177018235.db2.gz 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C[C@@H](Nc1ccc2ccccc2n1)[C@@H]1CCCO1 ZINC000035736232 343303060 /nfs/dbraw/zinc/30/30/60/343303060.db2.gz AVWAQFQMFDULSX-RISCZKNCSA-N 0 0 242.322 3.214 10 0 BGAERN C[C@H](Nc1ccc2ccccc2n1)[C@H]1CCCO1 ZINC000035736233 343303105 /nfs/dbraw/zinc/30/31/05/343303105.db2.gz AVWAQFQMFDULSX-SMDDNHRTSA-N 0 0 242.322 3.214 10 0 BGAERN C[C@@H](Nc1ccc2ccccc2n1)[C@H]1CCCO1 ZINC000035736234 343303088 /nfs/dbraw/zinc/30/30/88/343303088.db2.gz AVWAQFQMFDULSX-BXUZGUMPSA-N 0 0 242.322 3.214 10 0 BGAERN C[C@H](Nc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000035736243 343303134 /nfs/dbraw/zinc/30/31/34/343303134.db2.gz SMADXGDOIXSETI-ONGXEEELSA-N 0 0 248.351 3.276 10 0 BGAERN C[C@@H](Nc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000035736244 343302985 /nfs/dbraw/zinc/30/29/85/343302985.db2.gz SMADXGDOIXSETI-KOLCDFICSA-N 0 0 248.351 3.276 10 0 BGAERN C[C@H](Nc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000035736245 176938892 /nfs/dbraw/zinc/93/88/92/176938892.db2.gz SMADXGDOIXSETI-GXSJLCMTSA-N 0 0 248.351 3.276 10 0 BGAERN 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/nfs/dbraw/zinc/30/30/15/343303015.db2.gz AWVLWJJWIAOBRY-NSHDSACASA-N 0 0 209.337 3.191 10 0 BGAERN Cc1cc([C@@H](C)Nc2cnn(C)c2)c(C)s1 ZINC000035737489 178234100 /nfs/dbraw/zinc/23/41/00/178234100.db2.gz LEBDDCPOTLPOJQ-SECBINFHSA-N 0 0 235.356 3.272 10 0 BGAERN Cc1cc([C@H](C)Nc2cnn(C)c2)c(C)s1 ZINC000035737490 178259902 /nfs/dbraw/zinc/25/99/02/178259902.db2.gz LEBDDCPOTLPOJQ-VIFPVBQESA-N 0 0 235.356 3.272 10 0 BGAERN CC[C@H](Nc1cnn(C)c1)c1cccs1 ZINC000035737511 171553053 /nfs/dbraw/zinc/55/30/53/171553053.db2.gz CVSWNAIYKVLSNW-JTQLQIEISA-N 0 0 221.329 3.045 10 0 BGAERN CC[C@@H](Nc1cnn(C)c1)c1cccs1 ZINC000035737512 170916813 /nfs/dbraw/zinc/91/68/13/170916813.db2.gz CVSWNAIYKVLSNW-SNVBAGLBSA-N 0 0 221.329 3.045 10 0 BGAERN CSc1ccc([C@H](C)Nc2cnn(C)c2)cc1 ZINC000035737564 175578692 /nfs/dbraw/zinc/57/86/92/175578692.db2.gz DQYXJOJAHQRQEC-JTQLQIEISA-N 0 0 247.367 3.315 10 0 BGAERN CC[C@@H](C)C[C@@H](CC)Nc1cnn(C)c1 ZINC000035737594 343303142 /nfs/dbraw/zinc/30/31/42/343303142.db2.gz 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BGAERN Cc1cc(N)cnc1N1c2ccccc2C[C@H]1C ZINC000036241598 188112218 /nfs/dbraw/zinc/11/22/18/188112218.db2.gz KSXZWSLXIZHYEA-LLVKDONJSA-N 0 0 239.322 3.055 10 0 BGAERN Cc1ccc(-c2cn3cc(N)cc(C)c3n2)cc1 ZINC000036241606 178327759 /nfs/dbraw/zinc/32/77/59/178327759.db2.gz JESHUMYBVWASNJ-UHFFFAOYSA-N 0 0 237.306 3.200 10 0 BGAERN Cc1cc(N)cn2cc(-c3ccc(F)cc3)nc12 ZINC000036241613 178108157 /nfs/dbraw/zinc/10/81/57/178108157.db2.gz PKQZFRGENGIFPF-UHFFFAOYSA-N 0 0 241.269 3.031 10 0 BGAERN Cc1c(-c2cccs2)nc2c(C)cc(N)cn12 ZINC000036241659 178108032 /nfs/dbraw/zinc/10/80/32/178108032.db2.gz XSJOLPHPRQXPTH-UHFFFAOYSA-N 0 0 243.335 3.262 10 0 BGAERN Cc1nc(Nc2cccc(N)c2)sc1C ZINC000036241674 187249200 /nfs/dbraw/zinc/24/92/00/187249200.db2.gz KNMCLSJNLNZINR-UHFFFAOYSA-N 0 0 219.313 3.086 10 0 BGAERN Nc1cc(Nc2nccs2)ccc1Cl ZINC000036241762 181690722 /nfs/dbraw/zinc/69/07/22/181690722.db2.gz ABQMKUWHRFBJIU-UHFFFAOYSA-N 0 0 225.704 3.122 10 0 BGAERN COc1ccc(Nc2ncc(Cl)cc2N)cc1 ZINC000036242659 175156631 /nfs/dbraw/zinc/15/66/31/175156631.db2.gz WNMGJSWYAIYKEX-UHFFFAOYSA-N 0 0 249.701 3.069 10 0 BGAERN COc1cccc(Nc2ncc(Cl)cc2N)c1 ZINC000036242680 175280658 /nfs/dbraw/zinc/28/06/58/175280658.db2.gz AJOHSBQAKCORDD-UHFFFAOYSA-N 0 0 249.701 3.069 10 0 BGAERN Cc1cccc(Nc2ncc(Cl)cc2N)c1 ZINC000036242695 179158971 /nfs/dbraw/zinc/15/89/71/179158971.db2.gz LCGLXQKLCLGJNG-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN Cc1cnc(N2CCCc3ccccc32)c(N)c1 ZINC000036242827 132341444 /nfs/dbraw/zinc/34/14/44/132341444.db2.gz CGNXGQIQOQSKJV-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN CSc1cccc(Nc2ncc(C)cc2N)c1 ZINC000036242916 175581705 /nfs/dbraw/zinc/58/17/05/175581705.db2.gz GCIXXAIXYDYGQY-UHFFFAOYSA-N 0 0 245.351 3.438 10 0 BGAERN Cc1ccc(N)c(N2CCCc3ccccc32)n1 ZINC000036242947 132341241 /nfs/dbraw/zinc/34/12/41/132341241.db2.gz HUYAHSYAUQCWLM-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN Cc1cccc(Nc2nc(C)ccc2N)c1 ZINC000036243002 179159164 /nfs/dbraw/zinc/15/91/64/179159164.db2.gz DIMSLISUHXCZMQ-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN Cc1ccc(Oc2ncc(C)cc2N)c(C)c1 ZINC000036243166 178821924 /nfs/dbraw/zinc/82/19/24/178821924.db2.gz YADAPBXXFJWZJR-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1cnc(Oc2cccc(C)c2C)c(N)c1 ZINC000036243173 179643525 /nfs/dbraw/zinc/64/35/25/179643525.db2.gz RSEQBKZWAQVJTF-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1cccc(Oc2nc(C)ccc2N)c1 ZINC000036243185 187768121 /nfs/dbraw/zinc/76/81/21/187768121.db2.gz GWWLLOHTZYSIBV-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1ccc(Oc2nc(C)ccc2N)c(C)c1 ZINC000036243193 178821846 /nfs/dbraw/zinc/82/18/46/178821846.db2.gz GHMWPAUNSLQVBG-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1ccc(N)c(Oc2cccc(C)c2C)n1 ZINC000036243200 178705111 /nfs/dbraw/zinc/70/51/11/178705111.db2.gz OXBDUKHJRJNFFO-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN CCOc1ccc(Oc2nc(C)ccc2N)cc1 ZINC000036243204 170557210 /nfs/dbraw/zinc/55/72/10/170557210.db2.gz XPJNOKVXLKMIHL-UHFFFAOYSA-N 0 0 244.294 3.163 10 0 BGAERN Cc1cc(C)cc(Oc2ncc(N)cc2C)c1 ZINC000036243216 177915678 /nfs/dbraw/zinc/91/56/78/177915678.db2.gz DFRDCEQPEMKRFP-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1cc(N)cnc1Oc1ccc(Cl)cc1 ZINC000036243219 178108431 /nfs/dbraw/zinc/10/84/31/178108431.db2.gz AWGVSZULZKPHBC-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN Cc1cccc(Oc2ncc(N)cc2C)c1C ZINC000036243226 178108578 /nfs/dbraw/zinc/10/85/78/178108578.db2.gz RAFVVKCKRZSYGM-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN CCOc1ccc(Oc2ncc(N)cc2C)cc1 ZINC000036243229 170557147 /nfs/dbraw/zinc/55/71/47/170557147.db2.gz XCSZVYUXEFYVCR-UHFFFAOYSA-N 0 0 244.294 3.163 10 0 BGAERN Cc1ccnc(N2CCCc3ccccc32)c1N ZINC000036250507 132341455 /nfs/dbraw/zinc/34/14/55/132341455.db2.gz URDXHEMRXVSONE-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN Cc1ccnc(N2c3ccccc3C[C@@H]2C)c1N ZINC000036250510 179434596 /nfs/dbraw/zinc/43/45/96/179434596.db2.gz DIULHMPLFJVOJS-NSHDSACASA-N 0 0 239.322 3.055 10 0 BGAERN Cc1cc(N2CCCc3ccccc32)ncc1N ZINC000036250898 132341724 /nfs/dbraw/zinc/34/17/24/132341724.db2.gz XEAGHLGGKKZKMU-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN Cc1cc(N2c3ccccc3C[C@@H]2C)ncc1N ZINC000036250901 178123561 /nfs/dbraw/zinc/12/35/61/178123561.db2.gz SXEDPGCNKMDDRZ-NSHDSACASA-N 0 0 239.322 3.055 10 0 BGAERN Cc1cc(N2c3ccccc3C[C@H]2C)ncc1N ZINC000036250902 178124346 /nfs/dbraw/zinc/12/43/46/178124346.db2.gz SXEDPGCNKMDDRZ-LLVKDONJSA-N 0 0 239.322 3.055 10 0 BGAERN Cc1nc(N2CCCc3ccccc32)ccc1N ZINC000036251030 132341703 /nfs/dbraw/zinc/34/17/03/132341703.db2.gz LPSVFCFRUFAZKU-UHFFFAOYSA-N 0 0 239.322 3.057 10 0 BGAERN Cc1nc(N2c3ccccc3C[C@@H]2C)ccc1N ZINC000036251034 180005980 /nfs/dbraw/zinc/00/59/80/180005980.db2.gz ABSAUAIINLCTSN-JTQLQIEISA-N 0 0 239.322 3.055 10 0 BGAERN Cc1nc(N2c3ccccc3C[C@H]2C)ccc1N ZINC000036251035 180005223 /nfs/dbraw/zinc/00/52/23/180005223.db2.gz ABSAUAIINLCTSN-SNVBAGLBSA-N 0 0 239.322 3.055 10 0 BGAERN Cc1cccc(Nc2nccc(C)c2N)c1 ZINC000036251117 179159801 /nfs/dbraw/zinc/15/98/01/179159801.db2.gz SCUZSPOAILUDRC-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN Cc1cc(C)cc(Nc2nccc(C)c2N)c1 ZINC000036251128 177911220 /nfs/dbraw/zinc/91/12/20/177911220.db2.gz CQYREJVMPMMRPV-UHFFFAOYSA-N 0 0 227.311 3.333 10 0 BGAERN Cc1cccc(Nc2cc(C)c(N)cn2)c1C ZINC000036251298 178191497 /nfs/dbraw/zinc/19/14/97/178191497.db2.gz AXRGMBWBBNCHPZ-UHFFFAOYSA-N 0 0 227.311 3.333 10 0 BGAERN Cc1cc(Nc2ccccc2Cl)ncc1N ZINC000036251300 178192792 /nfs/dbraw/zinc/19/27/92/178192792.db2.gz QRLOAKGJMGTAJG-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN Cc1cccc(C)c1Nc1cc(C)c(N)cn1 ZINC000036251345 178191569 /nfs/dbraw/zinc/19/15/69/178191569.db2.gz ONMIDHDKDZPUKG-UHFFFAOYSA-N 0 0 227.311 3.333 10 0 BGAERN Cc1cccc(Nc2cc(C)c(N)cn2)c1 ZINC000036251359 179158546 /nfs/dbraw/zinc/15/85/46/179158546.db2.gz VRBXBFIOXYEIQK-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN Cc1ccccc1Nc1cc(C)c(N)cn1 ZINC000036251362 178193794 /nfs/dbraw/zinc/19/37/94/178193794.db2.gz ZIKSIDVCFPYMEE-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN Cc1cc(Nc2cccc(Cl)c2)ncc1N ZINC000036251426 178194356 /nfs/dbraw/zinc/19/43/56/178194356.db2.gz BANPATXGNQEKEX-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN COc1ccc(C)cc1Nc1cc(C)c(N)cn1 ZINC000036251444 175079051 /nfs/dbraw/zinc/07/90/51/175079051.db2.gz BTPZSJREXHFYKB-UHFFFAOYSA-N 0 0 243.310 3.033 10 0 BGAERN Cc1cc(Nc2ccc(Cl)cc2)ncc1N ZINC000036251449 178191531 /nfs/dbraw/zinc/19/15/31/178191531.db2.gz AQXRKXDBPYYLMY-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN Cc1cccc(Nc2ccc(N)c(C)n2)c1C ZINC000036251561 179159577 /nfs/dbraw/zinc/15/95/77/179159577.db2.gz BOSKCZVEWSHCLB-UHFFFAOYSA-N 0 0 227.311 3.333 10 0 BGAERN Cc1cccc(C)c1Nc1ccc(N)c(C)n1 ZINC000036251644 179044853 /nfs/dbraw/zinc/04/48/53/179044853.db2.gz XDIPVGINQWSZPU-UHFFFAOYSA-N 0 0 227.311 3.333 10 0 BGAERN Cc1cccc(Nc2ccc(N)c(C)n2)c1 ZINC000036251660 179159599 /nfs/dbraw/zinc/15/95/99/179159599.db2.gz WBJLOJYDAICQCZ-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN Cc1ccccc1Nc1ccc(N)c(C)n1 ZINC000036251664 179308066 /nfs/dbraw/zinc/30/80/66/179308066.db2.gz BHXQNAVDIQWTEV-UHFFFAOYSA-N 0 0 213.284 3.024 10 0 BGAERN COc1ccc(C)cc1Nc1ccc(N)c(C)n1 ZINC000036251742 175079265 /nfs/dbraw/zinc/07/92/65/175079265.db2.gz LMMXLZJHHVZERL-UHFFFAOYSA-N 0 0 243.310 3.033 10 0 BGAERN Cc1nc(Nc2ccc(Cl)cc2)ccc1N ZINC000036251743 187259105 /nfs/dbraw/zinc/25/91/05/187259105.db2.gz JPUSZPANAWUYDL-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN Cc1ccc(Oc2nccc(C)c2N)cc1 ZINC000036251765 178822037 /nfs/dbraw/zinc/82/20/37/178822037.db2.gz AKFQTDOTACDELR-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1cccc(Oc2nccc(C)c2N)c1 ZINC000036251771 187422503 /nfs/dbraw/zinc/42/25/03/187422503.db2.gz DFSUCLMBYGNUCH-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1cccc(Oc2nccc(C)c2N)c1C ZINC000036251796 187422045 /nfs/dbraw/zinc/42/20/45/187422045.db2.gz PAVXISLJZBPCES-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1ccc(C)c(Oc2cc(C)c(N)cn2)c1 ZINC000036251826 178491174 /nfs/dbraw/zinc/49/11/74/178491174.db2.gz WNDDTSASJVFHPU-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1cc(Oc2ccccc2Cl)ncc1N ZINC000036251827 178216124 /nfs/dbraw/zinc/21/61/24/178216124.db2.gz UNFCZEFLKMSMAL-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN Cc1ccc(Oc2cc(C)c(N)cn2)cc1 ZINC000036251829 178820195 /nfs/dbraw/zinc/82/01/95/178820195.db2.gz OCBPWCIPAIBVCT-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1cccc(Oc2cc(C)c(N)cn2)c1 ZINC000036251835 179175615 /nfs/dbraw/zinc/17/56/15/179175615.db2.gz AHIXTGSWRBJULO-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1cc(Oc2ccc(Cl)cc2)ncc1N ZINC000036251846 178214266 /nfs/dbraw/zinc/21/42/66/178214266.db2.gz JWTLOCJETHCUFN-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN Cc1cccc(Oc2cc(C)c(N)cn2)c1C ZINC000036251862 178214183 /nfs/dbraw/zinc/21/41/83/178214183.db2.gz LPMSQHXACVRJBO-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN CCOc1ccccc1Oc1cc(C)c(N)cn1 ZINC000036251870 170597110 /nfs/dbraw/zinc/59/71/10/170597110.db2.gz LHBPKAPADOOBBD-UHFFFAOYSA-N 0 0 244.294 3.163 10 0 BGAERN CCOc1ccc(Oc2cc(C)c(N)cn2)cc1 ZINC000036251872 170556959 /nfs/dbraw/zinc/55/69/59/170556959.db2.gz KWZKCFWXYZHYFO-UHFFFAOYSA-N 0 0 244.294 3.163 10 0 BGAERN Cc1ccc(C)c(Oc2ccc(N)c(C)n2)c1 ZINC000036251880 178491064 /nfs/dbraw/zinc/49/10/64/178491064.db2.gz IFDNNTZGCRFLQA-UHFFFAOYSA-N 0 0 228.295 3.381 10 0 BGAERN Cc1nc(Oc2ccccc2Cl)ccc1N ZINC000036251882 180028976 /nfs/dbraw/zinc/02/89/76/180028976.db2.gz BSHNPKGQOQTYEW-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN Cc1ccc(Oc2ccc(N)c(C)n2)cc1 ZINC000036251884 178821198 /nfs/dbraw/zinc/82/11/98/178821198.db2.gz VIRNGXMPTVNSHU-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1cccc(Oc2ccc(N)c(C)n2)c1 ZINC000036251892 187595159 /nfs/dbraw/zinc/59/51/59/187595159.db2.gz LVZDZFSIVLBOMI-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN Cc1nc(Oc2ccc(Cl)cc2)ccc1N ZINC000036251906 180029172 /nfs/dbraw/zinc/02/91/72/180029172.db2.gz WZXFQKSKULSJRC-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN CCOc1ccccc1Oc1ccc(N)c(C)n1 ZINC000036251935 170597489 /nfs/dbraw/zinc/59/74/89/170597489.db2.gz XEQGMVLQAPCFLV-UHFFFAOYSA-N 0 0 244.294 3.163 10 0 BGAERN Cc1nc2c(C)cc(Br)cn2c1C ZINC000036259707 180063650 /nfs/dbraw/zinc/06/36/50/180063650.db2.gz REVPKIBATBQTRS-UHFFFAOYSA-N 0 0 239.116 3.022 10 0 BGAERN CC(C)c1cn2cc(Br)ccc2n1 ZINC000036259714 343313450 /nfs/dbraw/zinc/31/34/50/343313450.db2.gz WXZNIIBLUVBSMI-UHFFFAOYSA-N 0 0 239.116 3.220 10 0 BGAERN CCCNc1nc(Cl)nc2sc(C)cc21 ZINC000036277568 169295743 /nfs/dbraw/zinc/29/57/43/169295743.db2.gz XIYZWKPQRUJXFT-UHFFFAOYSA-N 0 0 241.747 3.475 10 0 BGAERN Cc1cc2c(nc(Cl)nc2NC(C)C)s1 ZINC000036277574 178279082 /nfs/dbraw/zinc/27/90/82/178279082.db2.gz JFEIDTVTEZEBRM-UHFFFAOYSA-N 0 0 241.747 3.473 10 0 BGAERN CCNc1nc(Cl)nc2sc(C)cc21 ZINC000036277576 170176656 /nfs/dbraw/zinc/17/66/56/170176656.db2.gz OLPHZBJLFYFKRB-UHFFFAOYSA-N 0 0 227.720 3.085 10 0 BGAERN Cc1cc2c(nc(Cl)nc2NC2CC2)s1 ZINC000036277644 178279966 /nfs/dbraw/zinc/27/99/66/178279966.db2.gz LWINRCADIUDAJY-UHFFFAOYSA-N 0 0 239.731 3.227 10 0 BGAERN CCNc1nc(Cl)nc2sc(CC)cc21 ZINC000036277759 170176560 /nfs/dbraw/zinc/17/65/60/170176560.db2.gz AEDUJPUHSLMKSG-UHFFFAOYSA-N 0 0 241.747 3.339 10 0 BGAERN Cc1ccccc1-c1nc2c(cccc2N)[nH]1 ZINC000036281890 179238383 /nfs/dbraw/zinc/23/83/83/179238383.db2.gz GURZWIBTGTUMNF-UHFFFAOYSA-N 0 0 223.279 3.121 10 0 BGAERN Nc1cccc2[nH]c(-c3ccccc3Cl)nc21 ZINC000036281956 188112193 /nfs/dbraw/zinc/11/21/93/188112193.db2.gz IJPGPUBVFHNRPS-UHFFFAOYSA-N 0 0 243.697 3.466 10 0 BGAERN Nc1cccc2[nH]c(-c3cccc(Cl)c3)nc21 ZINC000036281958 187939702 /nfs/dbraw/zinc/93/97/02/187939702.db2.gz RRRQPGMGAIJIJN-UHFFFAOYSA-N 0 0 243.697 3.466 10 0 BGAERN Nc1cccc2[nH]c(-c3ccc(Cl)cc3)nc21 ZINC000036281960 187259133 /nfs/dbraw/zinc/25/91/33/187259133.db2.gz IFEBFAURMBPQEC-UHFFFAOYSA-N 0 0 243.697 3.466 10 0 BGAERN CC(=O)CCC(=O)c1c(C)cc(C)cc1C ZINC000036303662 187249823 /nfs/dbraw/zinc/24/98/23/187249823.db2.gz AWUXAXZTGSVEHG-UHFFFAOYSA-N 0 0 218.296 3.164 10 0 BGAERN CC(C)c1ccccc1NC1CCOCC1 ZINC000036303889 343314908 /nfs/dbraw/zinc/31/49/08/343314908.db2.gz VMOSLPPHBMHZGJ-UHFFFAOYSA-N 0 0 219.328 3.401 10 0 BGAERN FC(F)(F)c1ccc(NC2CCOCC2)cc1 ZINC000036303914 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COc1ccc(C(=O)C2CCC2)c(Cl)c1 ZINC000036767406 347454919 /nfs/dbraw/zinc/45/49/19/347454919.db2.gz JPTRKHFMEKSJBH-UHFFFAOYSA-N 0 0 224.687 3.331 10 0 BGAERN COc1ccc(-c2csc(N)n2)c(Cl)c1 ZINC000036768833 175037631 /nfs/dbraw/zinc/03/76/31/175037631.db2.gz PXYWSXGOPUAXQZ-UHFFFAOYSA-N 0 0 240.715 3.054 10 0 BGAERN Cc1cc(NCCc2cccc(F)c2)ccc1N ZINC000036779524 178163852 /nfs/dbraw/zinc/16/38/52/178163852.db2.gz KCVPPNAQJCKURF-UHFFFAOYSA-N 0 0 244.313 3.371 10 0 BGAERN Cc1ccc(NCCc2cccc(F)c2)c(N)c1 ZINC000036779529 178759517 /nfs/dbraw/zinc/75/95/17/178759517.db2.gz LVODEATUDIGQPH-UHFFFAOYSA-N 0 0 244.313 3.371 10 0 BGAERN Cc1cc(N)ccc1NCCc1cccc(F)c1 ZINC000036779530 178106691 /nfs/dbraw/zinc/10/66/91/178106691.db2.gz ZSNRXFWPSXFHEZ-UHFFFAOYSA-N 0 0 244.313 3.371 10 0 BGAERN Nc1cc(F)ccc1NCCc1cccc(F)c1 ZINC000036779538 181686744 /nfs/dbraw/zinc/68/67/44/181686744.db2.gz LTECBKXWXODDDN-UHFFFAOYSA-N 0 0 248.276 3.202 10 0 BGAERN Cc1csc(NCCc2cccc(F)c2)n1 ZINC000036779783 343324426 /nfs/dbraw/zinc/32/44/26/343324426.db2.gz NVZWPZKALNFZMQ-UHFFFAOYSA-N 0 0 236.315 3.245 10 0 BGAERN C[C@H](O)c1cc(F)ccc1N(C)[C@@H](C)C1CC1 ZINC000036785915 177016486 /nfs/dbraw/zinc/01/64/86/177016486.db2.gz SRUABSZHTWDQJD-UWVGGRQHSA-N 0 0 237.318 3.114 10 0 BGAERN C[C@H](O)c1ccc(N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000036785936 177017149 /nfs/dbraw/zinc/01/71/49/177017149.db2.gz LSBHKIYCYZPFLR-UWVGGRQHSA-N 0 0 237.318 3.114 10 0 BGAERN C[C@H](O)c1c(F)cccc1N(C)[C@@H](C)C1CC1 ZINC000036785942 177015818 /nfs/dbraw/zinc/01/58/18/177015818.db2.gz KNZQMGBHXFSUJG-UWVGGRQHSA-N 0 0 237.318 3.114 10 0 BGAERN C[C@@H](O)c1c(F)cccc1N(C)[C@@H](C)C1CC1 ZINC000036785943 175634358 /nfs/dbraw/zinc/63/43/58/175634358.db2.gz KNZQMGBHXFSUJG-VHSXEESVSA-N 0 0 237.318 3.114 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc2scnc2c1N ZINC000036787047 167370133 /nfs/dbraw/zinc/37/01/33/167370133.db2.gz DHHNWVAUMWMNOJ-SECBINFHSA-N 0 0 249.383 3.359 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc(N)c2cnccc21 ZINC000036787049 167371257 /nfs/dbraw/zinc/37/12/57/167371257.db2.gz WRTFPSBMLNBWGA-LLVKDONJSA-N 0 0 243.354 3.298 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc2cc(N)ccc2n1 ZINC000036787053 167370138 /nfs/dbraw/zinc/37/01/38/167370138.db2.gz KZJHEESCNBPFIZ-LLVKDONJSA-N 0 0 243.354 3.298 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc(N)c2ncccc21 ZINC000036787061 167370534 /nfs/dbraw/zinc/37/05/34/167370534.db2.gz QBZUJXLLBGUPDZ-LLVKDONJSA-N 0 0 243.354 3.298 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc(N)cc1Cl ZINC000036787077 167370948 /nfs/dbraw/zinc/37/09/48/167370948.db2.gz YPYHDZAAVNFTPZ-SECBINFHSA-N 0 0 226.751 3.403 10 0 BGAERN CC(C)[C@H](C)N(C)c1ccc(N)cc1Cl ZINC000036787078 188278478 /nfs/dbraw/zinc/27/84/78/188278478.db2.gz YPYHDZAAVNFTPZ-VIFPVBQESA-N 0 0 226.751 3.403 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc(F)cc1[C@@H](C)O ZINC000036787691 167371594 /nfs/dbraw/zinc/37/15/94/167371594.db2.gz VSXURTJDWFFOOO-GHMZBOCLSA-N 0 0 239.334 3.360 10 0 BGAERN CC(C)[C@H](C)N(C)c1ccc(F)cc1[C@@H](C)O ZINC000036787692 188112083 /nfs/dbraw/zinc/11/20/83/188112083.db2.gz VSXURTJDWFFOOO-WDEREUQCSA-N 0 0 239.334 3.360 10 0 BGAERN CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1F ZINC000036787701 167370543 /nfs/dbraw/zinc/37/05/43/167370543.db2.gz MXCYITPLYTWUMH-GHMZBOCLSA-N 0 0 239.334 3.360 10 0 BGAERN CC(C)[C@H](C)N(C)c1ccc([C@@H](C)O)cc1F ZINC000036787702 187423479 /nfs/dbraw/zinc/42/34/79/187423479.db2.gz MXCYITPLYTWUMH-WDEREUQCSA-N 0 0 239.334 3.360 10 0 BGAERN CC(C)[C@@H](C)N(C)c1cccc(F)c1[C@@H](C)O ZINC000036787705 167370607 /nfs/dbraw/zinc/37/06/07/167370607.db2.gz SEWUNPSJBUOMIG-GHMZBOCLSA-N 0 0 239.334 3.360 10 0 BGAERN CCC(CC)N(C)c1ccc(N)c2cnccc21 ZINC000036788877 168369043 /nfs/dbraw/zinc/36/90/43/168369043.db2.gz KXGRBLCCDBRTPQ-UHFFFAOYSA-N 0 0 243.354 3.442 10 0 BGAERN CCC(CC)N(C)c1ccc2cc(N)ccc2n1 ZINC000036788879 168368755 /nfs/dbraw/zinc/36/87/55/168368755.db2.gz ZAOMFTVGMXXMTE-UHFFFAOYSA-N 0 0 243.354 3.442 10 0 BGAERN CCC(CC)N(C)c1ccc(N)c2ncccc12 ZINC000036788883 168369558 /nfs/dbraw/zinc/36/95/58/168369558.db2.gz OQWUFOFUGCDZDS-UHFFFAOYSA-N 0 0 243.354 3.442 10 0 BGAERN CCC[C@@H](C)N(C)c1ccc(N)c2cnccc21 ZINC000036790094 169366646 /nfs/dbraw/zinc/36/66/46/169366646.db2.gz DWTLFUYMQFOOHL-LLVKDONJSA-N 0 0 243.354 3.442 10 0 BGAERN CCC[C@@H](C)N(C)c1ccc2cc(N)ccc2n1 ZINC000036790098 169366229 /nfs/dbraw/zinc/36/62/29/169366229.db2.gz MLGMQSFQICLTDF-LLVKDONJSA-N 0 0 243.354 3.442 10 0 BGAERN CCC[C@@H](C)N(C)c1ccc(N)c2ncccc12 ZINC000036790106 169366301 /nfs/dbraw/zinc/36/63/01/169366301.db2.gz VKTBVBAJHRMNHD-LLVKDONJSA-N 0 0 243.354 3.442 10 0 BGAERN Cc1c(N)cccc1C(=O)N[C@@H](C)CCC(C)C ZINC000036797576 177612902 /nfs/dbraw/zinc/61/29/02/177612902.db2.gz MJKVOAKGTLFNCE-NSHDSACASA-N 0 0 248.370 3.132 10 0 BGAERN Cc1cccc(N)c1C(=O)N[C@@H](C)CCC(C)C ZINC000036797580 179119834 /nfs/dbraw/zinc/11/98/34/179119834.db2.gz TVUZNVFDOUBJDQ-LBPRGKRZSA-N 0 0 248.370 3.132 10 0 BGAERN Cc1cccc(N)c1C(=O)N[C@H](C)CCC(C)C ZINC000036797582 179119674 /nfs/dbraw/zinc/11/96/74/179119674.db2.gz TVUZNVFDOUBJDQ-GFCCVEGCSA-N 0 0 248.370 3.132 10 0 BGAERN CC(C)[C@@H](C)Nc1ncnc2sccc21 ZINC000036803796 167388524 /nfs/dbraw/zinc/38/85/24/167388524.db2.gz BQOVYAVBXVCJOJ-MRVPVSSYSA-N 0 0 221.329 3.148 10 0 BGAERN CC(C)[C@H](C)Nc1ncnc2sccc21 ZINC000036803797 188103953 /nfs/dbraw/zinc/10/39/53/188103953.db2.gz BQOVYAVBXVCJOJ-QMMMGPOBSA-N 0 0 221.329 3.148 10 0 BGAERN COC(=O)c1ccccc1NCC1CCCCC1 ZINC000036804348 173900043 /nfs/dbraw/zinc/90/00/43/173900043.db2.gz IDSNKQMZJLWUJD-UHFFFAOYSA-N 0 0 247.338 3.465 10 0 BGAERN CCCCCCNc1ccc(C(=O)OC)cc1 ZINC000036804353 168670749 /nfs/dbraw/zinc/67/07/49/168670749.db2.gz WBYDTPSRPYYLBG-UHFFFAOYSA-N 0 0 235.327 3.465 10 0 BGAERN CCOC(=O)c1ccccc1NCCC(C)C ZINC000036804358 170300371 /nfs/dbraw/zinc/30/03/71/170300371.db2.gz MHFLKIVNRRXCJX-UHFFFAOYSA-N 0 0 235.327 3.321 10 0 BGAERN CCCCCCNc1cccc(C(=O)OC)c1 ZINC000036804370 168669870 /nfs/dbraw/zinc/66/98/70/168669870.db2.gz VYIJOZUZJTUQMN-UHFFFAOYSA-N 0 0 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348032649 /nfs/dbraw/zinc/03/26/49/348032649.db2.gz KSXHCVNJNOSGJF-UHFFFAOYSA-N 0 0 210.708 3.134 10 0 BGAERN CC[NH2+]C1(C(=O)[O-])CCC(C(C)(C)CC)CC1 ZINC000037181569 170108677 /nfs/dbraw/zinc/10/86/77/170108677.db2.gz UWYUFIPYTLHHTP-UHFFFAOYSA-N 0 0 241.375 3.046 10 0 BGAERN Nc1ccc(SCc2cscn2)cc1 ZINC000037182267 348034491 /nfs/dbraw/zinc/03/44/91/348034491.db2.gz UQVSHFSCGBGHLG-UHFFFAOYSA-N 0 0 222.338 3.018 10 0 BGAERN Cc1ccc(CSc2ccc(N)cc2)o1 ZINC000037182269 178645163 /nfs/dbraw/zinc/64/51/63/178645163.db2.gz DJOAYNYYNAFNME-UHFFFAOYSA-N 0 0 219.309 3.463 10 0 BGAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCCC[C@@H]1C(C)(C)C ZINC000037182914 167142986 /nfs/dbraw/zinc/14/29/86/167142986.db2.gz AHPRDCFVCQYHLI-BXUZGUMPSA-N 0 0 241.375 3.044 10 0 BGAERN CC(C)[NH2+][C@@]1(C(=O)[O-])CCCC[C@@H]1C(C)(C)C ZINC000037182915 167135784 /nfs/dbraw/zinc/13/57/84/167135784.db2.gz AHPRDCFVCQYHLI-RISCZKNCSA-N 0 0 241.375 3.044 10 0 BGAERN CC(C)[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C(C)(C)C ZINC000037182916 167141820 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348428076 /nfs/dbraw/zinc/42/80/76/348428076.db2.gz AGWTUOFIQCMEQN-CQSZACIVSA-N 0 0 216.255 3.082 10 0 BGAERN C[C@](O)(c1ccccc1)c1cccc(F)c1 ZINC000037415653 348427892 /nfs/dbraw/zinc/42/78/92/348427892.db2.gz AGWTUOFIQCMEQN-AWEZNQCLSA-N 0 0 216.255 3.082 10 0 BGAERN Nc1c(F)cccc1N1CCc2sccc2C1 ZINC000037419015 132344558 /nfs/dbraw/zinc/34/45/58/132344558.db2.gz KCZOIZCIKCOZOX-UHFFFAOYSA-N 0 0 248.326 3.032 10 0 BGAERN Nc1c(F)cccc1N1CCCc2ccccc21 ZINC000037419033 132344437 /nfs/dbraw/zinc/34/44/37/132344437.db2.gz JWBKSEAWGCHPCL-UHFFFAOYSA-N 0 0 242.297 3.492 10 0 BGAERN CN(Cc1ccccc1)c1cccc(F)c1N ZINC000037419069 348428882 /nfs/dbraw/zinc/42/88/82/348428882.db2.gz KKDAAIQXJXFOQY-UHFFFAOYSA-N 0 0 230.286 3.044 10 0 BGAERN Nc1c(F)cccc1NCc1ccccc1 ZINC000037419180 181669589 /nfs/dbraw/zinc/66/95/89/181669589.db2.gz RFMJYZQRLVXGMK-UHFFFAOYSA-N 0 0 216.259 3.020 10 0 BGAERN Nc1c(F)cccc1NCCc1ccccc1 ZINC000037419229 181669643 /nfs/dbraw/zinc/66/96/43/181669643.db2.gz JYYLDPDYHOVXRF-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/51/06/15/387510615.db2.gz NKWMOHIVQHFYRR-UHFFFAOYSA-N 0 0 221.206 3.339 10 0 BGAERN CC(C)n1c2cccc(F)c2[nH]c1=S ZINC000037422120 348430744 /nfs/dbraw/zinc/43/07/44/348430744.db2.gz UNEXWQHCPUOBRC-UHFFFAOYSA-N 0 0 210.277 3.419 10 0 BGAERN Fc1cccc2c1[nH]c(=S)n2Cc1ccco1 ZINC000037422248 181008072 /nfs/dbraw/zinc/00/80/72/181008072.db2.gz PBLUHETXESOLKH-UHFFFAOYSA-N 0 0 248.282 3.479 10 0 BGAERN Fc1cccc2c1[nH]c(=S)n2C1CC1 ZINC000037422295 348430547 /nfs/dbraw/zinc/43/05/47/348430547.db2.gz XPDUPUSLLIYKAL-UHFFFAOYSA-N 0 0 208.261 3.173 10 0 BGAERN COC(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1 ZINC000037425039 383974334 /nfs/dbraw/zinc/97/43/34/383974334.db2.gz ZLKVKCCPEOEQMM-UHFFFAOYSA-N 0 0 244.077 3.261 10 0 BGAERN Nc1nc(-c2cc(Cl)cc(Cl)c2)ns1 ZINC000037425075 348425760 /nfs/dbraw/zinc/42/57/60/348425760.db2.gz SQVFVUCNTIPCIY-UHFFFAOYSA-N 0 0 246.122 3.094 10 0 BGAERN Cc1ccc2c(c1)nc(-c1ccccc1O)n2C ZINC000037438836 178959703 /nfs/dbraw/zinc/95/97/03/178959703.db2.gz OISDLJPTYSUFCZ-UHFFFAOYSA-N 0 0 238.290 3.254 10 0 BGAERN Cc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1N ZINC000037439172 178336759 /nfs/dbraw/zinc/33/67/59/178336759.db2.gz GJOUJVSZWWKPLW-UHFFFAOYSA-N 0 0 241.269 3.260 10 0 BGAERN Cc1ccc(-c2nc3cc(F)ccc3[nH]2)c(O)c1 ZINC000037439970 178336622 /nfs/dbraw/zinc/33/66/22/178336622.db2.gz GFRCOKNZSBHWCD-UHFFFAOYSA-N 0 0 242.253 3.383 10 0 BGAERN Oc1ccccc1-c1nc2cc(F)ccc2[nH]1 ZINC000037439996 183300341 /nfs/dbraw/zinc/30/03/41/183300341.db2.gz LJYGBDFLJBIMGO-UHFFFAOYSA-N 0 0 228.226 3.075 10 0 BGAERN Nc1cc(F)ccc1-c1nc2c(cccc2F)[nH]1 ZINC000037442283 181686646 /nfs/dbraw/zinc/68/66/46/181686646.db2.gz QQCRJWNRNVZECA-UHFFFAOYSA-N 0 0 245.232 3.090 10 0 BGAERN Cc1nn(C)c(Cl)c1CSC(C)(C)C ZINC000037460360 348615039 /nfs/dbraw/zinc/61/50/39/348615039.db2.gz KQRVYKKYQPPZHP-UHFFFAOYSA-N 0 0 232.780 3.414 10 0 BGAERN C[C@@H]1CCC[C@](O)(c2ccc(F)cc2)C1 ZINC000037462619 386201109 /nfs/dbraw/zinc/20/11/09/386201109.db2.gz YVJXBISMHZKPRI-ZWNOBZJWSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCC[C@](O)(c2ccc(F)cc2)C1 ZINC000037462621 386200670 /nfs/dbraw/zinc/20/06/70/386200670.db2.gz YVJXBISMHZKPRI-GXFFZTMASA-N 0 0 208.276 3.223 10 0 BGAERN C[C@@H]1CCC[C@@](O)(c2ccc(F)cc2)C1 ZINC000037462623 259448217 /nfs/dbraw/zinc/44/82/17/259448217.db2.gz YVJXBISMHZKPRI-MFKMUULPSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCC[C@@](O)(c2ccc(F)cc2)C1 ZINC000037462625 259307951 /nfs/dbraw/zinc/30/79/51/259307951.db2.gz YVJXBISMHZKPRI-GWCFXTLKSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1cccc([C@]2(O)CCC[C@H](C)C2)c1 ZINC000037462635 259448219 /nfs/dbraw/zinc/44/82/19/259448219.db2.gz DQQIQIZEHRKUSQ-JSGCOSHPSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@@]2(O)CCC[C@H](C)C2)c1 ZINC000037462637 386201240 /nfs/dbraw/zinc/20/12/40/386201240.db2.gz DQQIQIZEHRKUSQ-GXTWGEPZSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@]2(O)CCC[C@@H](C)C2)c1 ZINC000037462639 386200424 /nfs/dbraw/zinc/20/04/24/386200424.db2.gz DQQIQIZEHRKUSQ-OCCSQVGLSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@@]2(O)CCC[C@@H](C)C2)c1 ZINC000037462641 386200743 /nfs/dbraw/zinc/20/07/43/386200743.db2.gz DQQIQIZEHRKUSQ-TZMCWYRMSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@]2(O)CCC[C@H](C)C2)cc1 ZINC000037462643 386201468 /nfs/dbraw/zinc/20/14/68/386201468.db2.gz STUMQNNXRWHFER-JSGCOSHPSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@@]2(O)CCC[C@H](C)C2)cc1 ZINC000037462645 259448162 /nfs/dbraw/zinc/44/81/62/259448162.db2.gz STUMQNNXRWHFER-GXTWGEPZSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@]2(O)CCC[C@@H](C)C2)cc1 ZINC000037462647 386200626 /nfs/dbraw/zinc/20/06/26/386200626.db2.gz STUMQNNXRWHFER-OCCSQVGLSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@@]2(O)CCC[C@@H](C)C2)cc1 ZINC000037462649 386201552 /nfs/dbraw/zinc/20/15/52/386201552.db2.gz STUMQNNXRWHFER-TZMCWYRMSA-N 0 0 204.313 3.393 10 0 BGAERN C[C@@H]1CCC[C@](O)(c2cccc(F)c2)C1 ZINC000037462651 386201438 /nfs/dbraw/zinc/20/14/38/386201438.db2.gz SHIFZYOKVGECKA-ZWNOBZJWSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCC[C@](O)(c2cccc(F)c2)C1 ZINC000037462653 386201200 /nfs/dbraw/zinc/20/12/00/386201200.db2.gz SHIFZYOKVGECKA-GXFFZTMASA-N 0 0 208.276 3.223 10 0 BGAERN C[C@@H]1CCC[C@@](O)(c2cccc(F)c2)C1 ZINC000037462655 259448213 /nfs/dbraw/zinc/44/82/13/259448213.db2.gz SHIFZYOKVGECKA-MFKMUULPSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCC[C@@](O)(c2cccc(F)c2)C1 ZINC000037462657 386200763 /nfs/dbraw/zinc/20/07/63/386200763.db2.gz SHIFZYOKVGECKA-GWCFXTLKSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1ccccc1[C@]1(O)CCC[C@H](C)C1 ZINC000037462659 386201321 /nfs/dbraw/zinc/20/13/21/386201321.db2.gz WSHWKWSQVSLGNY-FZMZJTMJSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccccc1[C@@]1(O)CCC[C@H](C)C1 ZINC000037462661 386201048 /nfs/dbraw/zinc/20/10/48/386201048.db2.gz WSHWKWSQVSLGNY-SMDDNHRTSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccccc1[C@]1(O)CCC[C@@H](C)C1 ZINC000037462663 386201141 /nfs/dbraw/zinc/20/11/41/386201141.db2.gz WSHWKWSQVSLGNY-RISCZKNCSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccccc1[C@@]1(O)CCC[C@@H](C)C1 ZINC000037462665 259448180 /nfs/dbraw/zinc/44/81/80/259448180.db2.gz WSHWKWSQVSLGNY-BXUZGUMPSA-N 0 0 204.313 3.393 10 0 BGAERN CC1CCC(O)(c2ccc(F)cc2)CC1 ZINC000037462677 386201086 /nfs/dbraw/zinc/20/10/86/386201086.db2.gz AZGSFFJSOZLRCY-UHFFFAOYSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1cccc(C2(O)CCC(C)CC2)c1 ZINC000037462681 386201001 /nfs/dbraw/zinc/20/10/01/386201001.db2.gz MSWNTBMNBROECU-UHFFFAOYSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc(C2(O)CCC(C)CC2)cc1 ZINC000037462683 386201434 /nfs/dbraw/zinc/20/14/34/386201434.db2.gz LELCYIOXJLWISD-UHFFFAOYSA-N 0 0 204.313 3.393 10 0 BGAERN CC1CCC(O)(c2cccc(F)c2)CC1 ZINC000037462685 386201078 /nfs/dbraw/zinc/20/10/78/386201078.db2.gz QWNQKNGWVGBAEN-UHFFFAOYSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1ccccc1C1(O)CCC(C)CC1 ZINC000037462687 259308012 /nfs/dbraw/zinc/30/80/12/259308012.db2.gz HGURBLZGBWWENV-UHFFFAOYSA-N 0 0 204.313 3.393 10 0 BGAERN C[C@@H]1CCCC[C@]1(O)c1ccc(F)cc1 ZINC000037462708 386200832 /nfs/dbraw/zinc/20/08/32/386200832.db2.gz SDECCRAQQBDJEY-ZWNOBZJWSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCCC[C@]1(O)c1ccc(F)cc1 ZINC000037462710 386201565 /nfs/dbraw/zinc/20/15/65/386201565.db2.gz SDECCRAQQBDJEY-GXFFZTMASA-N 0 0 208.276 3.223 10 0 BGAERN C[C@@H]1CCCC[C@@]1(O)c1ccc(F)cc1 ZINC000037462712 386200559 /nfs/dbraw/zinc/20/05/59/386200559.db2.gz SDECCRAQQBDJEY-MFKMUULPSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCCC[C@@]1(O)c1ccc(F)cc1 ZINC000037462714 259448215 /nfs/dbraw/zinc/44/82/15/259448215.db2.gz SDECCRAQQBDJEY-GWCFXTLKSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1cccc([C@]2(O)CCCC[C@@H]2C)c1 ZINC000037462724 386201475 /nfs/dbraw/zinc/20/14/75/386201475.db2.gz ZVFBHASLFZOXOL-JSGCOSHPSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@@]2(O)CCCC[C@@H]2C)c1 ZINC000037462726 386201034 /nfs/dbraw/zinc/20/10/34/386201034.db2.gz ZVFBHASLFZOXOL-GXTWGEPZSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@]2(O)CCCC[C@H]2C)c1 ZINC000037462728 386200811 /nfs/dbraw/zinc/20/08/11/386200811.db2.gz ZVFBHASLFZOXOL-OCCSQVGLSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1cccc([C@@]2(O)CCCC[C@H]2C)c1 ZINC000037462730 386200606 /nfs/dbraw/zinc/20/06/06/386200606.db2.gz ZVFBHASLFZOXOL-TZMCWYRMSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@]2(O)CCCC[C@@H]2C)cc1 ZINC000037462732 386200789 /nfs/dbraw/zinc/20/07/89/386200789.db2.gz XVGSGLOLKQWSEX-JSGCOSHPSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@@]2(O)CCCC[C@@H]2C)cc1 ZINC000037462734 259448119 /nfs/dbraw/zinc/44/81/19/259448119.db2.gz XVGSGLOLKQWSEX-GXTWGEPZSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@]2(O)CCCC[C@H]2C)cc1 ZINC000037462736 386201395 /nfs/dbraw/zinc/20/13/95/386201395.db2.gz XVGSGLOLKQWSEX-OCCSQVGLSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccc([C@@]2(O)CCCC[C@H]2C)cc1 ZINC000037462738 386200506 /nfs/dbraw/zinc/20/05/06/386200506.db2.gz XVGSGLOLKQWSEX-TZMCWYRMSA-N 0 0 204.313 3.393 10 0 BGAERN C[C@@H]1CCCC[C@]1(O)c1cccc(F)c1 ZINC000037462740 386201456 /nfs/dbraw/zinc/20/14/56/386201456.db2.gz WQECQFORBJGGLG-ZWNOBZJWSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCCC[C@]1(O)c1cccc(F)c1 ZINC000037462742 386201391 /nfs/dbraw/zinc/20/13/91/386201391.db2.gz WQECQFORBJGGLG-GXFFZTMASA-N 0 0 208.276 3.223 10 0 BGAERN C[C@@H]1CCCC[C@@]1(O)c1cccc(F)c1 ZINC000037462744 386201227 /nfs/dbraw/zinc/20/12/27/386201227.db2.gz WQECQFORBJGGLG-MFKMUULPSA-N 0 0 208.276 3.223 10 0 BGAERN C[C@H]1CCCC[C@@]1(O)c1cccc(F)c1 ZINC000037462746 386201327 /nfs/dbraw/zinc/20/13/27/386201327.db2.gz WQECQFORBJGGLG-GWCFXTLKSA-N 0 0 208.276 3.223 10 0 BGAERN Cc1ccccc1[C@]1(O)CCCC[C@@H]1C ZINC000037462748 386200971 /nfs/dbraw/zinc/20/09/71/386200971.db2.gz PHDHMKBEBBKGJV-JSGCOSHPSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccccc1[C@@]1(O)CCCC[C@@H]1C ZINC000037462750 386200468 /nfs/dbraw/zinc/20/04/68/386200468.db2.gz PHDHMKBEBBKGJV-GXTWGEPZSA-N 0 0 204.313 3.393 10 0 BGAERN Cc1ccccc1[C@@]1(O)CCCC[C@H]1C ZINC000037462753 386200517 /nfs/dbraw/zinc/20/05/17/386200517.db2.gz PHDHMKBEBBKGJV-TZMCWYRMSA-N 0 0 204.313 3.393 10 0 BGAERN OC1(Cc2ccc(Cl)cc2)CCCC1 ZINC000037463351 348615395 /nfs/dbraw/zinc/61/53/95/348615395.db2.gz FNXVGQOZHAGQGM-UHFFFAOYSA-N 0 0 210.704 3.188 10 0 BGAERN OC1(Cc2cccc(Cl)c2)CCCC1 ZINC000037463353 348615391 /nfs/dbraw/zinc/61/53/91/348615391.db2.gz YLQDYRBCQMDMEI-UHFFFAOYSA-N 0 0 210.704 3.188 10 0 BGAERN CC[C@](C)(O)Cc1ccccc1Br ZINC000037463557 348615095 /nfs/dbraw/zinc/61/50/95/348615095.db2.gz MUXXDZIXYAPBGB-NSHDSACASA-N 0 0 243.144 3.153 10 0 BGAERN CC[C@@](C)(O)Cc1ccccc1Br ZINC000037463559 348615171 /nfs/dbraw/zinc/61/51/71/348615171.db2.gz MUXXDZIXYAPBGB-LLVKDONJSA-N 0 0 243.144 3.153 10 0 BGAERN CC[C@](C)(O)Cc1ccc(Br)cc1 ZINC000037463565 348615318 /nfs/dbraw/zinc/61/53/18/348615318.db2.gz SWJWHICPDZXSHR-NSHDSACASA-N 0 0 243.144 3.153 10 0 BGAERN CC[C@@](C)(O)Cc1ccc(Br)cc1 ZINC000037463567 348615329 /nfs/dbraw/zinc/61/53/29/348615329.db2.gz SWJWHICPDZXSHR-LLVKDONJSA-N 0 0 243.144 3.153 10 0 BGAERN CC[C@](C)(O)Cc1cccc(Br)c1 ZINC000037463569 348615085 /nfs/dbraw/zinc/61/50/85/348615085.db2.gz ZFEDVBIMKNMYIT-NSHDSACASA-N 0 0 243.144 3.153 10 0 BGAERN CC[C@@](C)(O)Cc1cccc(Br)c1 ZINC000037463571 348615091 /nfs/dbraw/zinc/61/50/91/348615091.db2.gz ZFEDVBIMKNMYIT-LLVKDONJSA-N 0 0 243.144 3.153 10 0 BGAERN CC(C)[C@](C)(O)Cc1cccc(Cl)c1 ZINC000037463620 167535349 /nfs/dbraw/zinc/53/53/49/167535349.db2.gz HKOIANIWSHCCQV-GFCCVEGCSA-N 0 0 212.720 3.290 10 0 BGAERN C[C@](O)(Cc1ccc(Cl)cc1)C1CC1 ZINC000037463664 177452127 /nfs/dbraw/zinc/45/21/27/177452127.db2.gz AHDHAXIHOMEERJ-LBPRGKRZSA-N 0 0 210.704 3.044 10 0 BGAERN C[C@@](O)(Cc1cccc(Cl)c1)C1CC1 ZINC000037463666 348614988 /nfs/dbraw/zinc/61/49/88/348614988.db2.gz XFYBHFBKQQXABQ-GFCCVEGCSA-N 0 0 210.704 3.044 10 0 BGAERN C[C@@](O)(Cc1ccccc1Cl)C1CC1 ZINC000037463705 348615058 /nfs/dbraw/zinc/61/50/58/348615058.db2.gz CIWFXTCIYFJOQS-GFCCVEGCSA-N 0 0 210.704 3.044 10 0 BGAERN CCOc1cccc(C(=O)C2CCCC2)c1 ZINC000037463937 364048305 /nfs/dbraw/zinc/04/83/05/364048305.db2.gz RNAUXUBYOQTZSA-UHFFFAOYSA-N 0 0 218.296 3.458 10 0 BGAERN Cc1ccccc1C(=O)c1cccc(F)c1 ZINC000037463949 364048290 /nfs/dbraw/zinc/04/82/90/364048290.db2.gz MNSUUGIRUZUBQV-UHFFFAOYSA-N 0 0 214.239 3.365 10 0 BGAERN Cc1cccc(CC(=O)c2cccs2)c1 ZINC000037463957 348615956 /nfs/dbraw/zinc/61/59/56/348615956.db2.gz FITYKXMAZKPZDS-UHFFFAOYSA-N 0 0 216.305 3.482 10 0 BGAERN O=C(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000037463976 182035600 /nfs/dbraw/zinc/03/56/00/182035600.db2.gz JNWOQRGYQGWRAW-UHFFFAOYSA-N 0 0 231.682 3.160 10 0 BGAERN CC(C)(C)C(=O)Cc1cccc(Cl)c1 ZINC000037464256 348615805 /nfs/dbraw/zinc/61/58/05/348615805.db2.gz GNVHORKXGDUXKE-UHFFFAOYSA-N 0 0 210.704 3.498 10 0 BGAERN COc1cccc([C@H](O)C2CCCCC2)c1 ZINC000037464381 175295187 /nfs/dbraw/zinc/29/51/87/175295187.db2.gz XGYYVZNWNVDZPC-CQSZACIVSA-N 0 0 220.312 3.309 10 0 BGAERN COc1cccc([C@@H](O)C2CCCCC2)c1 ZINC000037464383 175288527 /nfs/dbraw/zinc/28/85/27/175288527.db2.gz XGYYVZNWNVDZPC-AWEZNQCLSA-N 0 0 220.312 3.309 10 0 BGAERN O[C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000037464427 183183905 /nfs/dbraw/zinc/18/39/05/183183905.db2.gz MZHCUWSYNHKILG-AWEZNQCLSA-N 0 0 216.255 3.102 10 0 BGAERN Cc1cccc([C@H](O)c2ccc(F)cc2)c1 ZINC000037464429 179203308 /nfs/dbraw/zinc/20/33/08/179203308.db2.gz KXPVMWIGLFTXGE-CQSZACIVSA-N 0 0 216.255 3.216 10 0 BGAERN Cc1cccc([C@@H](O)c2ccc(F)cc2)c1 ZINC000037464431 179188299 /nfs/dbraw/zinc/18/82/99/179188299.db2.gz KXPVMWIGLFTXGE-AWEZNQCLSA-N 0 0 216.255 3.216 10 0 BGAERN Cc1ccccc1[C@H](O)c1ccc(F)cc1 ZINC000037464433 179345735 /nfs/dbraw/zinc/34/57/35/179345735.db2.gz BDMNYVAXMNBRJR-CQSZACIVSA-N 0 0 216.255 3.216 10 0 BGAERN Cc1ccccc1[C@@H](O)c1ccc(F)cc1 ZINC000037464435 179326985 /nfs/dbraw/zinc/32/69/85/179326985.db2.gz BDMNYVAXMNBRJR-AWEZNQCLSA-N 0 0 216.255 3.216 10 0 BGAERN O[C@@H](Cc1ccccc1)c1cccs1 ZINC000037464473 183183200 /nfs/dbraw/zinc/18/32/00/183183200.db2.gz DPAWRTMEBCYSHU-NSHDSACASA-N 0 0 204.294 3.024 10 0 BGAERN O[C@H](Cc1ccccc1)c1cccs1 ZINC000037464475 183227807 /nfs/dbraw/zinc/22/78/07/183227807.db2.gz DPAWRTMEBCYSHU-LLVKDONJSA-N 0 0 204.294 3.024 10 0 BGAERN O[C@H](Cc1ccc(F)cc1)c1cccs1 ZINC000037464485 183227703 /nfs/dbraw/zinc/22/77/03/183227703.db2.gz QMQWTIFDEYLOAP-LLVKDONJSA-N 0 0 222.284 3.163 10 0 BGAERN O[C@@H](Cc1ccc(F)cc1)c1cccs1 ZINC000037464487 183183060 /nfs/dbraw/zinc/18/30/60/183183060.db2.gz QMQWTIFDEYLOAP-NSHDSACASA-N 0 0 222.284 3.163 10 0 BGAERN O[C@@H](Cc1ccccc1F)c1cccs1 ZINC000037464505 183183333 /nfs/dbraw/zinc/18/33/33/183183333.db2.gz TWIGDDWSZULLAI-NSHDSACASA-N 0 0 222.284 3.163 10 0 BGAERN O[C@H](Cc1ccccc1F)c1cccs1 ZINC000037464507 183227106 /nfs/dbraw/zinc/22/71/06/183227106.db2.gz TWIGDDWSZULLAI-LLVKDONJSA-N 0 0 222.284 3.163 10 0 BGAERN Cc1cccc([C@H](O)c2cccs2)c1 ZINC000037464509 179203202 /nfs/dbraw/zinc/20/32/02/179203202.db2.gz NSNKSCVHCKQYQZ-LBPRGKRZSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1cccc([C@@H](O)c2cccs2)c1 ZINC000037464511 179187711 /nfs/dbraw/zinc/18/77/11/179187711.db2.gz NSNKSCVHCKQYQZ-GFCCVEGCSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1cccc(C[C@H](O)c2cccs2)c1 ZINC000037464513 179106024 /nfs/dbraw/zinc/10/60/24/179106024.db2.gz FMMXRPNPUZKGDG-LBPRGKRZSA-N 0 0 218.321 3.333 10 0 BGAERN Cc1cccc(C[C@@H](O)c2cccs2)c1 ZINC000037464515 179104515 /nfs/dbraw/zinc/10/45/15/179104515.db2.gz FMMXRPNPUZKGDG-GFCCVEGCSA-N 0 0 218.321 3.333 10 0 BGAERN Cc1ccccc1C[C@H](O)c1cccs1 ZINC000037464517 179291877 /nfs/dbraw/zinc/29/18/77/179291877.db2.gz IZNOSYPCIVHPPN-LBPRGKRZSA-N 0 0 218.321 3.333 10 0 BGAERN Cc1ccccc1C[C@@H](O)c1cccs1 ZINC000037464518 179289850 /nfs/dbraw/zinc/28/98/50/179289850.db2.gz IZNOSYPCIVHPPN-GFCCVEGCSA-N 0 0 218.321 3.333 10 0 BGAERN O[C@@H](CCc1ccccc1)c1cccs1 ZINC000037464528 183173566 /nfs/dbraw/zinc/17/35/66/183173566.db2.gz ODVLFCHPJIVBSD-LBPRGKRZSA-N 0 0 218.321 3.414 10 0 BGAERN O[C@H](CCc1ccccc1)c1cccs1 ZINC000037464530 183220673 /nfs/dbraw/zinc/22/06/73/183220673.db2.gz ODVLFCHPJIVBSD-GFCCVEGCSA-N 0 0 218.321 3.414 10 0 BGAERN Cc1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000037464552 343345790 /nfs/dbraw/zinc/34/57/90/343345790.db2.gz RKSRLMKFBRVJMJ-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccc([C@@H](O)Cc2ccccc2)cc1 ZINC000037464554 178868246 /nfs/dbraw/zinc/86/82/46/178868246.db2.gz RKSRLMKFBRVJMJ-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccc([C@H](O)c2ccccc2C)cc1 ZINC000037464556 188325180 /nfs/dbraw/zinc/32/51/80/188325180.db2.gz JPLCUCRENZBAHB-HNNXBMFYSA-N 0 0 212.292 3.385 10 0 BGAERN Cc1ccc([C@@H](O)c2ccccc2C)cc1 ZINC000037464558 398330555 /nfs/dbraw/zinc/33/05/55/398330555.db2.gz JPLCUCRENZBAHB-OAHLLOKOSA-N 0 0 212.292 3.385 10 0 BGAERN Cc1cccc([C@H](O)Cc2ccccc2)c1 ZINC000037464599 179202636 /nfs/dbraw/zinc/20/26/36/179202636.db2.gz IWGHCCFQPAXLQE-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1cccc([C@@H](O)Cc2ccccc2)c1 ZINC000037464601 179188771 /nfs/dbraw/zinc/18/87/71/179188771.db2.gz IWGHCCFQPAXLQE-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccccc1[C@H](O)Cc1ccccc1 ZINC000037464603 179344839 /nfs/dbraw/zinc/34/48/39/179344839.db2.gz PNTKNDBERNLXIZ-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccccc1[C@@H](O)Cc1ccccc1 ZINC000037464605 179326328 /nfs/dbraw/zinc/32/63/28/179326328.db2.gz PNTKNDBERNLXIZ-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN O[C@H](Cc1ccc(Cl)cc1)c1cccnc1 ZINC000037464741 183227657 /nfs/dbraw/zinc/22/76/57/183227657.db2.gz RPTFOSRRGOYDGP-CYBMUJFWSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@@H](Cc1ccc(Cl)cc1)c1cccnc1 ZINC000037464743 183183622 /nfs/dbraw/zinc/18/36/22/183183622.db2.gz RPTFOSRRGOYDGP-ZDUSSCGKSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@@H](Cc1cccc(Cl)c1)c1cccnc1 ZINC000037464745 183183901 /nfs/dbraw/zinc/18/39/01/183183901.db2.gz HTZOXIXBHXGXLF-ZDUSSCGKSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@H](Cc1cccc(Cl)c1)c1cccnc1 ZINC000037464747 183227136 /nfs/dbraw/zinc/22/71/36/183227136.db2.gz HTZOXIXBHXGXLF-CYBMUJFWSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@@H](Cc1ccccc1Cl)c1cccnc1 ZINC000037464808 183183287 /nfs/dbraw/zinc/18/32/87/183183287.db2.gz OVBPBPFWILMHBN-ZDUSSCGKSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@H](Cc1ccccc1Cl)c1cccnc1 ZINC000037464810 183227257 /nfs/dbraw/zinc/22/72/57/183227257.db2.gz OVBPBPFWILMHBN-CYBMUJFWSA-N 0 0 233.698 3.011 10 0 BGAERN O[C@@H](Cc1ccccc1)c1ccsc1 ZINC000037464906 348616591 /nfs/dbraw/zinc/61/65/91/348616591.db2.gz CCDWPCSNBQRHNP-LBPRGKRZSA-N 0 0 204.294 3.024 10 0 BGAERN O[C@H](Cc1ccccc1)c1ccsc1 ZINC000037464909 348616513 /nfs/dbraw/zinc/61/65/13/348616513.db2.gz CCDWPCSNBQRHNP-GFCCVEGCSA-N 0 0 204.294 3.024 10 0 BGAERN Cc1cccc([C@H](O)c2ccsc2)c1 ZINC000037464950 348616587 /nfs/dbraw/zinc/61/65/87/348616587.db2.gz CFYXLYFTXSWZMH-LBPRGKRZSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1cccc([C@@H](O)c2ccsc2)c1 ZINC000037464952 348616596 /nfs/dbraw/zinc/61/65/96/348616596.db2.gz CFYXLYFTXSWZMH-GFCCVEGCSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1ccccc1[C@H](O)c1ccsc1 ZINC000037464978 348616585 /nfs/dbraw/zinc/61/65/85/348616585.db2.gz WGGDLPZDZDJUPD-GFCCVEGCSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1ccccc1[C@@H](O)c1ccsc1 ZINC000037464980 348616649 /nfs/dbraw/zinc/61/66/49/348616649.db2.gz WGGDLPZDZDJUPD-LBPRGKRZSA-N 0 0 204.294 3.138 10 0 BGAERN CC(C)[C@H](O)c1cccc(Br)c1 ZINC000037465006 364048027 /nfs/dbraw/zinc/04/80/27/364048027.db2.gz MEWCGLMNRLEPCD-JTQLQIEISA-N 0 0 229.117 3.139 10 0 BGAERN CC(C)[C@@H](O)c1cccc(Br)c1 ZINC000037465007 364048187 /nfs/dbraw/zinc/04/81/87/364048187.db2.gz MEWCGLMNRLEPCD-SNVBAGLBSA-N 0 0 229.117 3.139 10 0 BGAERN CCC[C@H](O)c1cccc(Br)c1 ZINC000037465013 364048214 /nfs/dbraw/zinc/04/82/14/364048214.db2.gz AGCGZPRKKYCHPL-JTQLQIEISA-N 0 0 229.117 3.283 10 0 BGAERN CCC[C@@H](O)c1cccc(Br)c1 ZINC000037465015 388857994 /nfs/dbraw/zinc/85/79/94/388857994.db2.gz AGCGZPRKKYCHPL-SNVBAGLBSA-N 0 0 229.117 3.283 10 0 BGAERN O[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000037465053 183227442 /nfs/dbraw/zinc/22/74/42/183227442.db2.gz TYIQAGNQXITJHD-CQSZACIVSA-N 0 0 216.255 3.102 10 0 BGAERN O[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000037465055 183183542 /nfs/dbraw/zinc/18/35/42/183183542.db2.gz TYIQAGNQXITJHD-AWEZNQCLSA-N 0 0 216.255 3.102 10 0 BGAERN Cc1cccc(C[C@H](O)c2ccccc2)c1 ZINC000037465339 179106265 /nfs/dbraw/zinc/10/62/65/179106265.db2.gz NTUKYXLAZCFIHH-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1cccc(C[C@@H](O)c2ccccc2)c1 ZINC000037465341 179104209 /nfs/dbraw/zinc/10/42/09/179104209.db2.gz NTUKYXLAZCFIHH-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccccc1C[C@H](O)c1ccccc1 ZINC000037465343 179292389 /nfs/dbraw/zinc/29/23/89/179292389.db2.gz BWCFGUUYISUBLU-HNNXBMFYSA-N 0 0 212.292 3.271 10 0 BGAERN Cc1ccccc1C[C@@H](O)c1ccccc1 ZINC000037465345 179289993 /nfs/dbraw/zinc/28/99/93/179289993.db2.gz BWCFGUUYISUBLU-OAHLLOKOSA-N 0 0 212.292 3.271 10 0 BGAERN CC(C)[C@H](O)Cc1cccc(Br)c1 ZINC000037465359 348616527 /nfs/dbraw/zinc/61/65/27/348616527.db2.gz BMRDWYOMRZPOED-LLVKDONJSA-N 0 0 243.144 3.009 10 0 BGAERN CC(C)[C@@H](O)Cc1cccc(Br)c1 ZINC000037465361 348616589 /nfs/dbraw/zinc/61/65/89/348616589.db2.gz BMRDWYOMRZPOED-NSHDSACASA-N 0 0 243.144 3.009 10 0 BGAERN Cc1cccc([C@H](O)c2ccccc2C)c1 ZINC000037465427 179203554 /nfs/dbraw/zinc/20/35/54/179203554.db2.gz ZMEVXVMRHGYCDN-HNNXBMFYSA-N 0 0 212.292 3.385 10 0 BGAERN Cc1cccc([C@@H](O)c2ccccc2C)c1 ZINC000037465429 179188937 /nfs/dbraw/zinc/18/89/37/179188937.db2.gz ZMEVXVMRHGYCDN-OAHLLOKOSA-N 0 0 212.292 3.385 10 0 BGAERN CC(C)(C)[C@H](O)Cc1ccc(Cl)cc1 ZINC000037465598 348616623 /nfs/dbraw/zinc/61/66/23/348616623.db2.gz OCYCXCUKVWDQJB-LLVKDONJSA-N 0 0 212.720 3.290 10 0 BGAERN CC(C)(C)[C@@H](O)Cc1ccc(Cl)cc1 ZINC000037465600 348616621 /nfs/dbraw/zinc/61/66/21/348616621.db2.gz OCYCXCUKVWDQJB-NSHDSACASA-N 0 0 212.720 3.290 10 0 BGAERN CC(C)(C)[C@H](O)Cc1cccc(Cl)c1 ZINC000037465602 348616566 /nfs/dbraw/zinc/61/65/66/348616566.db2.gz AFCIYISSGATDAS-LLVKDONJSA-N 0 0 212.720 3.290 10 0 BGAERN CC(C)(C)[C@@H](O)Cc1cccc(Cl)c1 ZINC000037465604 348616553 /nfs/dbraw/zinc/61/65/53/348616553.db2.gz AFCIYISSGATDAS-NSHDSACASA-N 0 0 212.720 3.290 10 0 BGAERN Fc1ccccc1NC(C1CC1)C1CC1 ZINC000037466607 181014693 /nfs/dbraw/zinc/01/46/93/181014693.db2.gz YWQDFUIQELXQEQ-UHFFFAOYSA-N 0 0 205.276 3.426 10 0 BGAERN COc1ccc(N[C@@H](C)C2(C)CC2)c(OC)c1 ZINC000037467614 175153410 /nfs/dbraw/zinc/15/34/10/175153410.db2.gz JWRKBLQLLNAVDA-JTQLQIEISA-N 0 0 235.327 3.304 10 0 BGAERN COc1ccc(N[C@H](C)C2(C)CC2)c(OC)c1 ZINC000037467616 175154928 /nfs/dbraw/zinc/15/49/28/175154928.db2.gz JWRKBLQLLNAVDA-SNVBAGLBSA-N 0 0 235.327 3.304 10 0 BGAERN CCOC(=O)c1ccccc1N[C@@H](C)C1(C)CC1 ZINC000037468637 170299719 /nfs/dbraw/zinc/29/97/19/170299719.db2.gz QBDMVVNRXYGAOT-NSHDSACASA-N 0 0 247.338 3.464 10 0 BGAERN CCOC(=O)c1ccccc1N[C@H](C)C1(C)CC1 ZINC000037468639 170299995 /nfs/dbraw/zinc/29/99/95/170299995.db2.gz QBDMVVNRXYGAOT-LLVKDONJSA-N 0 0 247.338 3.464 10 0 BGAERN Cc1cc([C@@H](C)Nc2ccn(C)n2)c(C)s1 ZINC000037471705 178234371 /nfs/dbraw/zinc/23/43/71/178234371.db2.gz HRBTXXMGRTXFQN-SECBINFHSA-N 0 0 235.356 3.272 10 0 BGAERN Cc1cc([C@H](C)Nc2ccn(C)n2)c(C)s1 ZINC000037471706 178259561 /nfs/dbraw/zinc/25/95/61/178259561.db2.gz HRBTXXMGRTXFQN-VIFPVBQESA-N 0 0 235.356 3.272 10 0 BGAERN CCCCCC[C@@H](C)Nc1ccn(C)n1 ZINC000037471860 168675075 /nfs/dbraw/zinc/67/50/75/168675075.db2.gz YOVOCXAPXSTTFS-LLVKDONJSA-N 0 0 209.337 3.191 10 0 BGAERN CCCCCC[C@H](C)Nc1ccn(C)n1 ZINC000037471861 520132745 /nfs/dbraw/zinc/13/27/45/520132745.db2.gz YOVOCXAPXSTTFS-NSHDSACASA-N 0 0 209.337 3.191 10 0 BGAERN CC[C@@H](C)C[C@@H](CC)Nc1ccn(C)n1 ZINC000037471863 343346275 /nfs/dbraw/zinc/34/62/75/343346275.db2.gz DZUHVTWSYIUMNQ-GHMZBOCLSA-N 0 0 209.337 3.047 10 0 BGAERN CC[C@H](C[C@@H](C)CC)Nc1ccn(C)n1 ZINC000037471864 171296732 /nfs/dbraw/zinc/29/67/32/171296732.db2.gz DZUHVTWSYIUMNQ-WDEREUQCSA-N 0 0 209.337 3.047 10 0 BGAERN CC[C@@H](C)C[C@H](CC)Nc1ccn(C)n1 ZINC000037471865 383981522 /nfs/dbraw/zinc/98/15/22/383981522.db2.gz DZUHVTWSYIUMNQ-MNOVXSKESA-N 0 0 209.337 3.047 10 0 BGAERN CC[C@H](C)C[C@H](CC)Nc1ccn(C)n1 ZINC000037471866 171298853 /nfs/dbraw/zinc/29/88/53/171298853.db2.gz DZUHVTWSYIUMNQ-QWRGUYRKSA-N 0 0 209.337 3.047 10 0 BGAERN C[C@@H]1C[C@H](Nc2ccn(C)n2)CC(C)(C)C1 ZINC000037471867 385291744 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343144411 /nfs/dbraw/zinc/14/44/11/343144411.db2.gz ULJXIGMLEZGSBM-UHFFFAOYSA-N 0 0 242.303 3.251 10 0 BGAERN Nc1cc(-c2nc3ccccc3o2)c(F)cc1F ZINC000037606407 181675009 /nfs/dbraw/zinc/67/50/09/181675009.db2.gz KXRVMBGHRKDLDS-UHFFFAOYSA-N 0 0 246.216 3.355 10 0 BGAERN CCOC(=O)c1cc(-c2ccccc2)[nH]c1C ZINC000037624562 170290842 /nfs/dbraw/zinc/29/08/42/170290842.db2.gz BQNZGDBTUKZKHE-UHFFFAOYSA-N 0 0 229.279 3.167 10 0 BGAERN CCOC(=O)c1c(C)n(C)cc1-c1ccccc1 ZINC000037624566 344404954 /nfs/dbraw/zinc/40/49/54/344404954.db2.gz MTMPOQYGAQOLAQ-UHFFFAOYSA-N 0 0 243.306 3.177 10 0 BGAERN c1[nH]c2ccccc2c1CCc1cccnc1 ZINC000037625205 183491788 /nfs/dbraw/zinc/49/17/88/183491788.db2.gz PHSMWONUYCOJFC-UHFFFAOYSA-N 0 0 222.291 3.348 10 0 BGAERN Cc1c(Br)[nH]c2ccccc12 ZINC000037625291 187769459 /nfs/dbraw/zinc/76/94/59/187769459.db2.gz XMUHHOFMRNZTNB-UHFFFAOYSA-N 0 0 210.074 3.239 10 0 BGAERN COC(=O)c1ccc2c3ccccc3n(C)c2c1 ZINC000037625408 344404862 /nfs/dbraw/zinc/40/48/62/344404862.db2.gz 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205.635 3.325 10 0 BGAERN CCOc1ccc(OCC)c(NCC(F)F)c1 ZINC000037755720 170556166 /nfs/dbraw/zinc/55/61/66/170556166.db2.gz VURVOZZKRRXWKK-UHFFFAOYSA-N 0 0 245.269 3.161 10 0 BGAERN CCOc1ccc(NCC(F)F)cc1OCC ZINC000037755742 170552490 /nfs/dbraw/zinc/55/24/90/170552490.db2.gz TVWZIZAYNUCKBK-UHFFFAOYSA-N 0 0 245.269 3.161 10 0 BGAERN COc1ccc(Cl)cc1NCC(F)F ZINC000037755755 364589794 /nfs/dbraw/zinc/58/97/94/364589794.db2.gz XSOHNTNILAPPND-UHFFFAOYSA-N 0 0 221.634 3.026 10 0 BGAERN FC(F)CNc1ccccc1Br ZINC000037755776 364586397 /nfs/dbraw/zinc/58/63/97/364586397.db2.gz RBGNCLIZRFMHDD-UHFFFAOYSA-N 0 0 236.059 3.126 10 0 BGAERN FC(F)CNc1ccc(Br)cc1 ZINC000037755777 388630070 /nfs/dbraw/zinc/63/00/70/388630070.db2.gz MIJQXGXLRYOEPN-UHFFFAOYSA-N 0 0 236.059 3.126 10 0 BGAERN FC(F)CNc1cccc(Br)c1 ZINC000037755778 388630255 /nfs/dbraw/zinc/63/02/55/388630255.db2.gz HUUZYYUZLUQEED-UHFFFAOYSA-N 0 0 236.059 3.126 10 0 BGAERN Cc1ccc(NCC(F)F)c(Cl)c1 ZINC000037755836 388630439 /nfs/dbraw/zinc/63/04/39/388630439.db2.gz MQXJKLKQJFHTHB-UHFFFAOYSA-N 0 0 205.635 3.325 10 0 BGAERN Fc1c(Cl)cccc1NCC(F)F ZINC000037755838 364586348 /nfs/dbraw/zinc/58/63/48/364586348.db2.gz OYTYLAVTDPHJQB-UHFFFAOYSA-N 0 0 209.598 3.156 10 0 BGAERN Fc1ccc(NCC(F)F)c(Cl)c1 ZINC000037755851 388630098 /nfs/dbraw/zinc/63/00/98/388630098.db2.gz ACSVWNKVMCFNQG-UHFFFAOYSA-N 0 0 209.598 3.156 10 0 BGAERN Fc1ccc(Cl)cc1NCC(F)F ZINC000037755877 388630058 /nfs/dbraw/zinc/63/00/58/388630058.db2.gz ZMFAMOLAXLYDLM-UHFFFAOYSA-N 0 0 209.598 3.156 10 0 BGAERN FC(F)CN[C@@H](c1ccccc1)c1ccncc1 ZINC000037755922 180903071 /nfs/dbraw/zinc/90/30/71/180903071.db2.gz FEVUUJSMOVPTMQ-AWEZNQCLSA-N 0 0 248.276 3.026 10 0 BGAERN Nc1cc(Cl)ccc1SCC(F)F ZINC000037756084 388630199 /nfs/dbraw/zinc/63/01/99/388630199.db2.gz WAZLTUYNBCRRSZ-UHFFFAOYSA-N 0 0 223.675 3.279 10 0 BGAERN Nc1cccc(Cl)c1SCC(F)F ZINC000037756097 181745048 /nfs/dbraw/zinc/74/50/48/181745048.db2.gz BNCQGWMLWMLWEN-UHFFFAOYSA-N 0 0 223.675 3.279 10 0 BGAERN Nc1cccc(F)c1-c1nc(C2CCCC2)no1 ZINC000037756568 181745384 /nfs/dbraw/zinc/74/53/84/181745384.db2.gz JTAQWDWRFWRKSP-UHFFFAOYSA-N 0 0 247.273 3.116 10 0 BGAERN CCc1cc(Cl)nc(C2CCCC2)n1 ZINC000037756666 343144300 /nfs/dbraw/zinc/14/43/00/343144300.db2.gz LKXKVNLHWVFQRH-UHFFFAOYSA-N 0 0 210.708 3.350 10 0 BGAERN Cc1cc(Oc2ccc(Cl)cc2N)nc(C)n1 ZINC000037756849 178214001 /nfs/dbraw/zinc/21/40/01/178214001.db2.gz ZPTDFJXQLQNLDL-UHFFFAOYSA-N 0 0 249.701 3.121 10 0 BGAERN Cc1cc(Oc2ccc(N)cc2Cl)nc(C)n1 ZINC000037756853 178214802 /nfs/dbraw/zinc/21/48/02/178214802.db2.gz GRYKKIMHFXUKOE-UHFFFAOYSA-N 0 0 249.701 3.121 10 0 BGAERN C[C@H](Nc1nc2ccccc2[nH]1)c1ccco1 ZINC000037756961 344578581 /nfs/dbraw/zinc/57/85/81/344578581.db2.gz DIMRWUSERFCSHZ-VIFPVBQESA-N 0 0 227.267 3.329 10 0 BGAERN C[C@@H](Nc1nc2ccccc2[nH]1)c1ccco1 ZINC000037756962 344578783 /nfs/dbraw/zinc/57/87/83/344578783.db2.gz DIMRWUSERFCSHZ-SECBINFHSA-N 0 0 227.267 3.329 10 0 BGAERN COCc1cc2ccccc2nc1Cl ZINC000037758367 364588450 /nfs/dbraw/zinc/58/84/50/364588450.db2.gz IPJBSSOTSOYNDE-UHFFFAOYSA-N 0 0 207.660 3.035 10 0 BGAERN CN(c1ccccc1)[C@@H]1CNc2ccccc2C1 ZINC000037761071 172950297 /nfs/dbraw/zinc/95/02/97/172950297.db2.gz JRYXRSGXAXQGNT-HNNXBMFYSA-N 0 0 238.334 3.160 10 0 BGAERN OC1(c2cnc3ccccc3c2)CCCCC1 ZINC000037761165 183022777 /nfs/dbraw/zinc/02/27/77/183022777.db2.gz OUPOWKOCGAZMTH-UHFFFAOYSA-N 0 0 227.307 3.387 10 0 BGAERN CC(C)[C@H]1CC[C@@H](C)C[C@@]1(O)c1cccnc1 ZINC000037761166 188288187 /nfs/dbraw/zinc/28/81/87/188288187.db2.gz IPPVMCXCBKYVIM-BPLDGKMQSA-N 0 0 233.355 3.361 10 0 BGAERN CC(C)[C@H]1CC[C@H](C)C[C@@]1(O)c1cccnc1 ZINC000037761167 167483170 /nfs/dbraw/zinc/48/31/70/167483170.db2.gz IPPVMCXCBKYVIM-NWANDNLSSA-N 0 0 233.355 3.361 10 0 BGAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)c1cccnc1 ZINC000037761168 187260345 /nfs/dbraw/zinc/26/03/45/187260345.db2.gz IPPVMCXCBKYVIM-VHDGCEQUSA-N 0 0 233.355 3.361 10 0 BGAERN O[C@]1(c2cccnc2)CCCCc2ccccc21 ZINC000037761232 183253042 /nfs/dbraw/zinc/25/30/42/183253042.db2.gz NWUIFOISQRUZKE-INIZCTEOSA-N 0 0 239.318 3.044 10 0 BGAERN O[C@@]1(c2cccnc2)CCCCc2ccccc21 ZINC000037761233 183218140 /nfs/dbraw/zinc/21/81/40/183218140.db2.gz NWUIFOISQRUZKE-MRXNPFEDSA-N 0 0 239.318 3.044 10 0 BGAERN CCC[C@](O)(c1ccccc1)c1cccnc1 ZINC000037761324 169555436 /nfs/dbraw/zinc/55/54/36/169555436.db2.gz VXXAUQULHKTEQW-HNNXBMFYSA-N 0 0 227.307 3.118 10 0 BGAERN CC[C@@H](C)[C@](C)(O)c1cnc2ccccc2c1 ZINC000037761340 170802744 /nfs/dbraw/zinc/80/27/44/170802744.db2.gz INVIAUISWPISME-ABAIWWIYSA-N 0 0 229.323 3.488 10 0 BGAERN CC[C@H](C)[C@@](C)(O)c1cnc2ccccc2c1 ZINC000037761343 171383159 /nfs/dbraw/zinc/38/31/59/171383159.db2.gz INVIAUISWPISME-XHDPSFHLSA-N 0 0 229.323 3.488 10 0 BGAERN CC[C@@](O)(c1cnc2ccccc2c1)C(C)C ZINC000037761346 171194901 /nfs/dbraw/zinc/19/49/01/171194901.db2.gz WJBGUNNWVAEDJW-HNNXBMFYSA-N 0 0 229.323 3.488 10 0 BGAERN O=C(Cc1ccccn1)c1cnc2ccccc2c1 ZINC000037761573 182046195 /nfs/dbraw/zinc/04/61/95/182046195.db2.gz BRPBMUDOZVSCOM-UHFFFAOYSA-N 0 0 248.285 3.055 10 0 BGAERN O[C@H](c1cccs1)c1cnc2ccccc2c1 ZINC000037761613 183187297 /nfs/dbraw/zinc/18/72/97/183187297.db2.gz DQZRRUIRQPTGLJ-AWEZNQCLSA-N 0 0 241.315 3.378 10 0 BGAERN O[C@@H](c1cccs1)c1cnc2ccccc2c1 ZINC000037761614 183230422 /nfs/dbraw/zinc/23/04/22/183230422.db2.gz DQZRRUIRQPTGLJ-CQSZACIVSA-N 0 0 241.315 3.378 10 0 BGAERN CC(C)c1ccc([C@H](O)c2cccnc2)cc1 ZINC000037761617 343144243 /nfs/dbraw/zinc/14/42/43/343144243.db2.gz XVNAPWUCSVIPIL-HNNXBMFYSA-N 0 0 227.307 3.287 10 0 BGAERN CC(C)c1ccc([C@@H](O)c2cccnc2)cc1 ZINC000037761618 167615237 /nfs/dbraw/zinc/61/52/37/167615237.db2.gz XVNAPWUCSVIPIL-OAHLLOKOSA-N 0 0 227.307 3.287 10 0 BGAERN O[C@H](c1ccsc1)c1cnc2ccccc2c1 ZINC000037761642 183230106 /nfs/dbraw/zinc/23/01/06/183230106.db2.gz RVZFGDPOCXODRP-CQSZACIVSA-N 0 0 241.315 3.378 10 0 BGAERN O[C@@H](c1ccsc1)c1cnc2ccccc2c1 ZINC000037761643 183187110 /nfs/dbraw/zinc/18/71/10/183187110.db2.gz RVZFGDPOCXODRP-AWEZNQCLSA-N 0 0 241.315 3.378 10 0 BGAERN O[C@@H](c1cnc2ccccc2c1)C1CCCC1 ZINC000037761720 183186709 /nfs/dbraw/zinc/18/67/09/183186709.db2.gz QIHITENXALJXHI-OAHLLOKOSA-N 0 0 227.307 3.458 10 0 BGAERN O[C@H](c1cnc2ccccc2c1)C1CCCC1 ZINC000037761721 183230697 /nfs/dbraw/zinc/23/06/97/183230697.db2.gz QIHITENXALJXHI-HNNXBMFYSA-N 0 0 227.307 3.458 10 0 BGAERN CCNc1ccc(Cl)c2cccnc12 ZINC000037767179 170173854 /nfs/dbraw/zinc/17/38/54/170173854.db2.gz BGMGDWXMIKVFKP-UHFFFAOYSA-N 0 0 206.676 3.320 10 0 BGAERN CCC[C@@H](C)Nc1ccc(F)c(NC(C)=O)c1 ZINC000037768232 169371221 /nfs/dbraw/zinc/37/12/21/169371221.db2.gz NPTCAPOZWPXQOT-SECBINFHSA-N 0 0 238.306 3.385 10 0 BGAERN CC(C)C[C@@H](C)Nc1ccc(-n2cncn2)cc1 ZINC000037768881 187424562 /nfs/dbraw/zinc/42/45/62/187424562.db2.gz AABHGVUPJPWVSK-GFCCVEGCSA-N 0 0 244.342 3.114 10 0 BGAERN CCCC[C@H](C)Nc1ccc(-n2cncn2)cc1 ZINC000037769184 168991990 /nfs/dbraw/zinc/99/19/90/168991990.db2.gz JGBNRWLXKPROEJ-LBPRGKRZSA-N 0 0 244.342 3.258 10 0 BGAERN CCC[C@@H](C)CNc1ccc(-n2cncn2)cc1 ZINC000037769623 169360823 /nfs/dbraw/zinc/36/08/23/169360823.db2.gz IIDRBUGXMUYGPT-GFCCVEGCSA-N 0 0 244.342 3.115 10 0 BGAERN CCC[C@H](C)CNc1ccc(-n2cncn2)cc1 ZINC000037769624 169483207 /nfs/dbraw/zinc/48/32/07/169483207.db2.gz IIDRBUGXMUYGPT-LBPRGKRZSA-N 0 0 244.342 3.115 10 0 BGAERN CC[C@H](C)[C@@H](C)Nc1ccc(-n2cncn2)cc1 ZINC000037769664 171367451 /nfs/dbraw/zinc/36/74/51/171367451.db2.gz VMQWGAMRTWGRLJ-NWDGAFQWSA-N 0 0 244.342 3.114 10 0 BGAERN CC[C@H](C)[C@H](C)Nc1ccc(-n2cncn2)cc1 ZINC000037769666 171391219 /nfs/dbraw/zinc/39/12/19/171391219.db2.gz VMQWGAMRTWGRLJ-RYUDHWBXSA-N 0 0 244.342 3.114 10 0 BGAERN Cc1ccc([C@@H](C)NCc2csnn2)c(C)c1 ZINC000037772216 384014381 /nfs/dbraw/zinc/01/43/81/384014381.db2.gz GROQPXYEPQPXEY-LLVKDONJSA-N 0 0 247.367 3.006 10 0 BGAERN Cc1ccc([C@H](C)NCc2csnn2)c(C)c1 ZINC000037772217 384013369 /nfs/dbraw/zinc/01/33/69/384013369.db2.gz GROQPXYEPQPXEY-NSHDSACASA-N 0 0 247.367 3.006 10 0 BGAERN Cc1nccn1-c1ncccc1N[C@@H](C)C(C)C ZINC000037772447 180230257 /nfs/dbraw/zinc/23/02/57/180230257.db2.gz KNOVZWFRKLXVSI-NSHDSACASA-N 0 0 244.342 3.032 10 0 BGAERN Cc1nccn1-c1ncccc1N[C@H](C)C(C)C ZINC000037772448 180230477 /nfs/dbraw/zinc/23/04/77/180230477.db2.gz KNOVZWFRKLXVSI-LLVKDONJSA-N 0 0 244.342 3.032 10 0 BGAERN CCC(CC)Nc1cccnc1-n1ccnc1C ZINC000037772457 168394908 /nfs/dbraw/zinc/39/49/08/168394908.db2.gz CWWJCHRHOGKCOF-UHFFFAOYSA-N 0 0 244.342 3.176 10 0 BGAERN Cc1nccn1-c1ncccc1NCCC(C)C ZINC000037772493 180230481 /nfs/dbraw/zinc/23/04/81/180230481.db2.gz QOFPAPNPRXJKCW-UHFFFAOYSA-N 0 0 244.342 3.034 10 0 BGAERN CCCCCNc1cccnc1-n1ccnc1C ZINC000037772576 168722480 /nfs/dbraw/zinc/72/24/80/168722480.db2.gz BVTUJMVHKOJLPN-UHFFFAOYSA-N 0 0 244.342 3.178 10 0 BGAERN CC[C@H](C)Nc1cccc(COCCOC)c1 ZINC000037772669 171350493 /nfs/dbraw/zinc/35/04/93/171350493.db2.gz MUEWDVIVGSQHJW-LBPRGKRZSA-N 0 0 237.343 3.060 10 0 BGAERN CC[C@H](C)Nc1ccc(Cn2cccn2)cc1 ZINC000037772823 171349357 /nfs/dbraw/zinc/34/93/57/171349357.db2.gz KWWGGRZXQAWWIJ-LBPRGKRZSA-N 0 0 229.327 3.142 10 0 BGAERN CC(C)[C@@H](C)Nc1ccc2nccnc2c1 ZINC000037772982 167388177 /nfs/dbraw/zinc/38/81/77/167388177.db2.gz QFTQMDHMEZCLDD-SNVBAGLBSA-N 0 0 215.300 3.086 10 0 BGAERN CC(C)[C@H](C)Nc1ccc2nccnc2c1 ZINC000037772983 187259816 /nfs/dbraw/zinc/25/98/16/187259816.db2.gz QFTQMDHMEZCLDD-JTQLQIEISA-N 0 0 215.300 3.086 10 0 BGAERN CCC(CC)Nc1ccc2nccnc2c1 ZINC000037773006 168394462 /nfs/dbraw/zinc/39/44/62/168394462.db2.gz FDSVLASNCOCIRH-UHFFFAOYSA-N 0 0 215.300 3.230 10 0 BGAERN c1ccc(CCNc2ccc3nccnc3c2)cc1 ZINC000037773041 183394646 /nfs/dbraw/zinc/39/46/46/183394646.db2.gz JBBUTBYMSMAKJI-UHFFFAOYSA-N 0 0 249.317 3.284 10 0 BGAERN CCC(CC)CNc1ccc2nccnc2c1 ZINC000037773052 168366255 /nfs/dbraw/zinc/36/62/55/168366255.db2.gz YZWSKHLBSPUSBX-UHFFFAOYSA-N 0 0 229.327 3.478 10 0 BGAERN CCC[C@@H](C)Nc1ccc2nccnc2c1 ZINC000037773097 169372206 /nfs/dbraw/zinc/37/22/06/169372206.db2.gz HUKLKLQDCCFJID-SNVBAGLBSA-N 0 0 215.300 3.230 10 0 BGAERN CC[C@H](C)CNc1ccc2nccnc2c1 ZINC000037773204 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CCCC1CCC(Nc2ccc(=O)n(C)c2)CC1 ZINC000037785826 168606308 /nfs/dbraw/zinc/60/63/08/168606308.db2.gz ODSZMBAVJIKAMS-UHFFFAOYSA-N 0 0 248.370 3.156 10 0 BGAERN CCc1nc2cc(NC(C)C)ccc2o1 ZINC000037785989 172012779 /nfs/dbraw/zinc/01/27/79/172012779.db2.gz RYKPIBQBMQDENW-UHFFFAOYSA-N 0 0 204.273 3.211 10 0 BGAERN CCc1nc2cc(N[C@@H]3CCSC3)ccc2o1 ZINC000037786038 172012172 /nfs/dbraw/zinc/01/21/72/172012172.db2.gz SVBUNABGXIKKFJ-SNVBAGLBSA-N 0 0 248.351 3.308 10 0 BGAERN CCc1nc2cc(N[C@H]3CCSC3)ccc2o1 ZINC000037786039 172012890 /nfs/dbraw/zinc/01/28/90/172012890.db2.gz SVBUNABGXIKKFJ-JTQLQIEISA-N 0 0 248.351 3.308 10 0 BGAERN CCc1nc2cc(NCC3CC3)ccc2o1 ZINC000037786131 172012564 /nfs/dbraw/zinc/01/25/64/172012564.db2.gz VLKYYRVIKQDGSH-UHFFFAOYSA-N 0 0 216.284 3.212 10 0 BGAERN Cc1nn(C(C)C)c(C)c1N[C@@H](C)C1CC1 ZINC000037787319 188288197 /nfs/dbraw/zinc/28/81/97/188288197.db2.gz DPIVFFWLKWTYQZ-VIFPVBQESA-N 0 0 221.348 3.291 10 0 BGAERN Cc1nn(C(C)C)c(C)c1N[C@H](C)C1CC1 ZINC000037787320 187424255 /nfs/dbraw/zinc/42/42/55/187424255.db2.gz DPIVFFWLKWTYQZ-SECBINFHSA-N 0 0 221.348 3.291 10 0 BGAERN CC[C@H](C)Nc1c(C)nn(C(C)C)c1C ZINC000037787518 171349893 /nfs/dbraw/zinc/34/98/93/171349893.db2.gz LDTQXQNFQYBLSS-VIFPVBQESA-N 0 0 209.337 3.291 10 0 BGAERN Cc1nn(C(C)C)c(C)c1N[C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037787557 187424369 /nfs/dbraw/zinc/42/43/69/187424369.db2.gz YXPXSNRMKMEJDZ-HZSPNIEDSA-N 0 0 245.370 3.457 10 0 BGAERN Cc1nn(C(C)C)c(C)c1N[C@@H]1C[C@@H]2CC=C[C@H]12 ZINC000037787559 188288225 /nfs/dbraw/zinc/28/82/25/188288225.db2.gz YXPXSNRMKMEJDZ-MELADBBJSA-N 0 0 245.370 3.457 10 0 BGAERN CCC[C@@H](C)Nc1ccc(-n2cncn2)c(F)c1 ZINC000037788045 169371213 /nfs/dbraw/zinc/37/12/13/169371213.db2.gz TVXQNHAEMWYUFD-SNVBAGLBSA-N 0 0 248.305 3.007 10 0 BGAERN Cc1ncc(CNc2ccccc2)s1 ZINC000037796968 180161195 /nfs/dbraw/zinc/16/11/95/180161195.db2.gz VVTXUIAMYLYITN-UHFFFAOYSA-N 0 0 204.298 3.064 10 0 BGAERN Cc1ncc(CNc2ccc(C)c(O)c2C)s1 ZINC000037797543 180160559 /nfs/dbraw/zinc/16/05/59/180160559.db2.gz UXMOIYNYHSBMOZ-UHFFFAOYSA-N 0 0 248.351 3.386 10 0 BGAERN Cc1ccc(C(=O)N(C)[C@@H](C)CC(C)C)cc1N ZINC000037807279 178379898 /nfs/dbraw/zinc/37/98/98/178379898.db2.gz CCIWIHGJSFJOHE-LBPRGKRZSA-N 0 0 248.370 3.084 10 0 BGAERN Cc1ccc(C(=O)N(C)[C@H](C)CC(C)C)cc1N ZINC000037807280 178380714 /nfs/dbraw/zinc/38/07/14/178380714.db2.gz CCIWIHGJSFJOHE-GFCCVEGCSA-N 0 0 248.370 3.084 10 0 BGAERN CCCCN(C(=O)c1ccc(N)cc1)[C@@H](C)CC ZINC000037809863 168757350 /nfs/dbraw/zinc/75/73/50/168757350.db2.gz LTGCSXBGCGTKTE-LBPRGKRZSA-N 0 0 248.370 3.310 10 0 BGAERN C=CC(=O)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000037828438 187425274 /nfs/dbraw/zinc/42/52/74/187425274.db2.gz QWWIUYHRZCFBCM-UHFFFAOYSA-N 0 0 231.339 3.129 10 0 BGAERN CC(C)CCN(C)C(=O)c1c[nH]c2ccccc12 ZINC000037841814 166832617 /nfs/dbraw/zinc/83/26/17/166832617.db2.gz LSDQODKBVUVQCQ-UHFFFAOYSA-N 0 0 244.338 3.286 10 0 BGAERN O[C@H](CNc1ccc(F)cc1F)c1ccccc1 ZINC000037857093 183225366 /nfs/dbraw/zinc/22/53/66/183225366.db2.gz DTEMGZXWQVCBIZ-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1ccc(F)cc1F)c1ccccc1 ZINC000037857094 183180791 /nfs/dbraw/zinc/18/07/91/183180791.db2.gz DTEMGZXWQVCBIZ-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN CCc1ccccc1NC[C@@H](O)c1ccccc1 ZINC000037857168 171887948 /nfs/dbraw/zinc/88/79/48/171887948.db2.gz SSBKSSHIFIMHKZ-MRXNPFEDSA-N 0 0 241.334 3.395 10 0 BGAERN O[C@H](CNc1cc(F)cc(F)c1)c1ccccc1 ZINC000037857288 183225291 /nfs/dbraw/zinc/22/52/91/183225291.db2.gz KOGRTEFGFOSJMY-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1cc(F)cc(F)c1)c1ccccc1 ZINC000037857289 183180787 /nfs/dbraw/zinc/18/07/87/183180787.db2.gz KOGRTEFGFOSJMY-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1cc(F)ccc1F)c1ccccc1 ZINC000037870966 183224972 /nfs/dbraw/zinc/22/49/72/183224972.db2.gz FAAWIAZDKWCYRA-CQSZACIVSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1cc(F)ccc1F)c1ccccc1 ZINC000037870967 183180320 /nfs/dbraw/zinc/18/03/20/183180320.db2.gz FAAWIAZDKWCYRA-AWEZNQCLSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@H](CNc1c(F)cccc1F)c1ccccc1 ZINC000037870994 183225386 /nfs/dbraw/zinc/22/53/86/183225386.db2.gz OPIHKHZABYJZMV-CYBMUJFWSA-N 0 0 249.260 3.110 10 0 BGAERN O[C@@H](CNc1c(F)cccc1F)c1ccccc1 ZINC000037870995 183180383 /nfs/dbraw/zinc/18/03/83/183180383.db2.gz OPIHKHZABYJZMV-ZDUSSCGKSA-N 0 0 249.260 3.110 10 0 BGAERN O=Cc1ccc(-c2ccc3nccnc3c2)s1 ZINC000037898367 712784420 /nfs/dbraw/zinc/78/44/20/712784420.db2.gz WPCMYEOFEQKJOR-UHFFFAOYSA-N 0 0 240.287 3.171 10 0 BGAERN CCC[C@@H](C)[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903278 169373231 /nfs/dbraw/zinc/37/32/31/169373231.db2.gz AOHYEHJSSRVPHT-OQPBUACISA-N 0 0 243.297 3.409 10 0 BGAERN Nc1cccc2c1CCCN2C1CCCCC1 ZINC000037905998 132345596 /nfs/dbraw/zinc/34/55/96/132345596.db2.gz IMEOONPSAVONIF-UHFFFAOYSA-N 0 0 230.355 3.354 10 0 BGAERN Cc1ccc(CN2CCCc3c(N)cccc32)o1 ZINC000037906099 132345556 /nfs/dbraw/zinc/34/55/56/132345556.db2.gz NKAWBVOSYATQOZ-UHFFFAOYSA-N 0 0 242.322 3.123 10 0 BGAERN C[C@H](Nc1cccc2cccnc21)c1cc[nH]n1 ZINC000037906385 176936172 /nfs/dbraw/zinc/93/61/72/176936172.db2.gz QVNDKBRKLMQZJP-JTQLQIEISA-N 0 0 238.294 3.131 10 0 BGAERN C[C@H](Nc1ccc(F)c(F)c1F)c1cc[nH]n1 ZINC000037906455 176933639 /nfs/dbraw/zinc/93/36/39/176933639.db2.gz JUVZTFNUAVZOHW-LURJTMIESA-N 0 0 241.216 3.000 10 0 BGAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1cc[nH]n1 ZINC000037906512 175932184 /nfs/dbraw/zinc/93/21/84/175932184.db2.gz QMQUBXUAGIESMW-SNVBAGLBSA-N 0 0 227.311 3.072 10 0 BGAERN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc[nH]n1 ZINC000037906762 179339682 /nfs/dbraw/zinc/33/96/82/179339682.db2.gz MPRATUOADABNFY-NWDGAFQWSA-N 0 0 229.327 3.130 10 0 BGAERN Cc1nc2cc(N[C@@H](C)c3cc[nH]n3)ccc2o1 ZINC000037906869 180084450 /nfs/dbraw/zinc/08/44/50/180084450.db2.gz GTJQEPZABMCPQB-QMMMGPOBSA-N 0 0 242.282 3.032 10 0 BGAERN Cc1nc2cc(N[C@H](C)c3cc[nH]n3)ccc2o1 ZINC000037906870 180084394 /nfs/dbraw/zinc/08/43/94/180084394.db2.gz GTJQEPZABMCPQB-MRVPVSSYSA-N 0 0 242.282 3.032 10 0 BGAERN CC(C)Oc1ccc(N[C@@H](C)c2cc[nH]n2)cc1 ZINC000037907021 167297294 /nfs/dbraw/zinc/29/72/94/167297294.db2.gz PPMYXWSOUKMVHB-NSHDSACASA-N 0 0 245.326 3.370 10 0 BGAERN CC(C)Oc1ccc(N[C@H](C)c2cc[nH]n2)cc1 ZINC000037907022 167297051 /nfs/dbraw/zinc/29/70/51/167297051.db2.gz PPMYXWSOUKMVHB-LLVKDONJSA-N 0 0 245.326 3.370 10 0 BGAERN C[C@H](Nc1cccc2cnccc21)c1cc[nH]n1 ZINC000037907347 176935615 /nfs/dbraw/zinc/93/56/15/176935615.db2.gz LWKJVAQMKUXJPX-JTQLQIEISA-N 0 0 238.294 3.131 10 0 BGAERN Cc1cc([C@@H](C)N[C@@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908055 178230743 /nfs/dbraw/zinc/23/07/43/178230743.db2.gz CKRYUBNQLBOQDQ-ZJUUUORDSA-N 0 0 249.383 3.500 10 0 BGAERN Cc1cc([C@H](C)N[C@@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908056 178253354 /nfs/dbraw/zinc/25/33/54/178253354.db2.gz CKRYUBNQLBOQDQ-UWVGGRQHSA-N 0 0 249.383 3.500 10 0 BGAERN Cc1cc([C@@H](C)N[C@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908057 178232688 /nfs/dbraw/zinc/23/26/88/178232688.db2.gz CKRYUBNQLBOQDQ-NXEZZACHSA-N 0 0 249.383 3.500 10 0 BGAERN Cc1cc([C@H](C)N[C@H](C)c2cc[nH]n2)c(C)s1 ZINC000037908058 178257799 /nfs/dbraw/zinc/25/77/99/178257799.db2.gz CKRYUBNQLBOQDQ-VHSXEESVSA-N 0 0 249.383 3.500 10 0 BGAERN CC(C)Oc1ccccc1N[C@@H](C)c1cc[nH]n1 ZINC000037908085 188115369 /nfs/dbraw/zinc/11/53/69/188115369.db2.gz NUEFABLZLGTTAA-NSHDSACASA-N 0 0 245.326 3.370 10 0 BGAERN CCOc1ccc(N[C@@H](C)c2cc[nH]n2)c(C)c1 ZINC000037908503 170553523 /nfs/dbraw/zinc/55/35/23/170553523.db2.gz PVGYKQXUAFVGNO-NSHDSACASA-N 0 0 245.326 3.290 10 0 BGAERN Cc1nc(CNc2ccc3c(c2)CCC3)oc1C ZINC000037909252 179977176 /nfs/dbraw/zinc/97/71/76/179977176.db2.gz DQHNIEABTAVQQF-UHFFFAOYSA-N 0 0 242.322 3.392 10 0 BGAERN Cc1nc(CN[C@@H](C)c2cccs2)oc1C ZINC000037909405 343360497 /nfs/dbraw/zinc/36/04/97/343360497.db2.gz MNFKJGXNKYKFHU-VIFPVBQESA-N 0 0 236.340 3.204 10 0 BGAERN Cc1nc(CN[C@H](C)c2cccs2)oc1C ZINC000037909406 343360461 /nfs/dbraw/zinc/36/04/61/343360461.db2.gz MNFKJGXNKYKFHU-SECBINFHSA-N 0 0 236.340 3.204 10 0 BGAERN Cc1nc(CSc2ccc(C)cc2N)oc1C ZINC000037909524 188114929 /nfs/dbraw/zinc/11/49/29/188114929.db2.gz AFTSMKGLRCLOPA-UHFFFAOYSA-N 0 0 248.351 3.474 10 0 BGAERN Cc1nc(CSc2ccc(N)cc2C)oc1C ZINC000037909525 178107155 /nfs/dbraw/zinc/10/71/55/178107155.db2.gz CDTUJJMUFHYLAZ-UHFFFAOYSA-N 0 0 248.351 3.474 10 0 BGAERN Cc1nc2cc(N3CCC[C@@H]3C)c(N)cc2s1 ZINC000037910159 180082185 /nfs/dbraw/zinc/08/21/85/180082185.db2.gz SDLDUSFWFKJXMW-QMMMGPOBSA-N 0 0 247.367 3.176 10 0 BGAERN Cc1nc2cc(N3CCC[C@H]3C)c(N)cc2s1 ZINC000037910160 180082266 /nfs/dbraw/zinc/08/22/66/180082266.db2.gz SDLDUSFWFKJXMW-MRVPVSSYSA-N 0 0 247.367 3.176 10 0 BGAERN C[C@@H]1CCCN1c1ccc(N)cc1C(F)(F)F ZINC000037910177 176111469 /nfs/dbraw/zinc/11/14/69/176111469.db2.gz GBPQODJRKZWQMU-MRVPVSSYSA-N 0 0 244.260 3.276 10 0 BGAERN C[C@H]1CCCN1c1ccc(N)cc1C(F)(F)F ZINC000037910178 177111403 /nfs/dbraw/zinc/11/14/03/177111403.db2.gz GBPQODJRKZWQMU-QMMMGPOBSA-N 0 0 244.260 3.276 10 0 BGAERN C[C@@H]1CCCN1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910203 176111382 /nfs/dbraw/zinc/11/13/82/176111382.db2.gz NRJJIYLGQMHDFV-MRVPVSSYSA-N 0 0 244.260 3.276 10 0 BGAERN C[C@@H]1CCCN1c1cccc(Cl)c1C=O ZINC000037911250 350290681 /nfs/dbraw/zinc/29/06/81/350290681.db2.gz XWZVEWJUMHILAS-SECBINFHSA-N 0 0 223.703 3.141 10 0 BGAERN C[C@H]1CCCN1c1cccc(Cl)c1C=O ZINC000037911251 350290460 /nfs/dbraw/zinc/29/04/60/350290460.db2.gz XWZVEWJUMHILAS-VIFPVBQESA-N 0 0 223.703 3.141 10 0 BGAERN C[C@@H]1CCCN1c1nc2ccccc2cc1C=O ZINC000037911274 176111380 /nfs/dbraw/zinc/11/13/80/176111380.db2.gz QQIZXHOUSBWSFA-LLVKDONJSA-N 0 0 240.306 3.036 10 0 BGAERN C[C@H]1CCCN1c1nc2ccccc2cc1C=O ZINC000037911275 177112860 /nfs/dbraw/zinc/11/28/60/177112860.db2.gz QQIZXHOUSBWSFA-NSHDSACASA-N 0 0 240.306 3.036 10 0 BGAERN C[C@@H]1CCCN1CC(=O)c1cc2ccccc2o1 ZINC000037911484 176108382 /nfs/dbraw/zinc/10/83/82/176108382.db2.gz PRGPTRCGFFBNLM-LLVKDONJSA-N 0 0 243.306 3.100 10 0 BGAERN C[C@H]1CCCN1CC(=O)c1cc2ccccc2o1 ZINC000037911485 177109114 /nfs/dbraw/zinc/10/91/14/177109114.db2.gz PRGPTRCGFFBNLM-NSHDSACASA-N 0 0 243.306 3.100 10 0 BGAERN C[C@@H]1CCCN1CC(=O)c1ccc(Cl)s1 ZINC000037911538 350290956 /nfs/dbraw/zinc/29/09/56/350290956.db2.gz DHHSQODOHCNXPJ-MRVPVSSYSA-N 0 0 243.759 3.069 10 0 BGAERN C[C@H]1CCCN1CC(=O)c1ccc(Cl)s1 ZINC000037911539 350291130 /nfs/dbraw/zinc/29/11/30/350291130.db2.gz DHHSQODOHCNXPJ-QMMMGPOBSA-N 0 0 243.759 3.069 10 0 BGAERN CSc1ccc(C(=O)CN2CCC[C@@H]2C)cc1 ZINC000037911563 187261237 /nfs/dbraw/zinc/26/12/37/187261237.db2.gz OTYGBUHMVZPDCX-NSHDSACASA-N 0 0 249.379 3.076 10 0 BGAERN C[C@@H]1CCCN1CC(=O)c1coc2ccccc12 ZINC000037911704 176109122 /nfs/dbraw/zinc/10/91/22/176109122.db2.gz LKFTWNSWZXSYOU-LLVKDONJSA-N 0 0 243.306 3.100 10 0 BGAERN C[C@H]1CCCN1CC(=O)c1coc2ccccc12 ZINC000037911705 177108803 /nfs/dbraw/zinc/10/88/03/177108803.db2.gz LKFTWNSWZXSYOU-NSHDSACASA-N 0 0 243.306 3.100 10 0 BGAERN CC[C@@H]1CCCN1c1ccc(N)c2cnccc21 ZINC000037912979 170984180 /nfs/dbraw/zinc/98/41/80/170984180.db2.gz DCVMDJWBACLCSS-LLVKDONJSA-N 0 0 241.338 3.196 10 0 BGAERN CC[C@@H]1CCCN1c1cccc(F)c1C(C)=O ZINC000037914098 170984488 /nfs/dbraw/zinc/98/44/88/170984488.db2.gz UPDWWDWAYIAINZ-LLVKDONJSA-N 0 0 235.302 3.407 10 0 BGAERN CCCOC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921529 169300009 /nfs/dbraw/zinc/30/00/09/169300009.db2.gz LIXQXMAADZIKON-ZIAGYGMSSA-N 0 0 248.322 3.108 10 0 BGAERN CCCOC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921530 169300785 /nfs/dbraw/zinc/30/07/85/169300785.db2.gz LIXQXMAADZIKON-UONOGXRCSA-N 0 0 248.322 3.108 10 0 BGAERN CCCOC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921531 169299524 /nfs/dbraw/zinc/29/95/24/169299524.db2.gz LIXQXMAADZIKON-KGLIPLIRSA-N 0 0 248.322 3.108 10 0 BGAERN CCCOC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000037921532 169300535 /nfs/dbraw/zinc/30/05/35/169300535.db2.gz LIXQXMAADZIKON-KBPBESRZSA-N 0 0 248.322 3.108 10 0 BGAERN CCc1ncc(CNc2cccc(O)c2)s1 ZINC000037923956 172021083 /nfs/dbraw/zinc/02/10/83/172021083.db2.gz ONKGYMJSFCNJQZ-UHFFFAOYSA-N 0 0 234.324 3.023 10 0 BGAERN CCc1ncc(CNc2ccc(O)cc2)s1 ZINC000037924564 172020077 /nfs/dbraw/zinc/02/00/77/172020077.db2.gz MMLOWKIWDQTSTQ-UHFFFAOYSA-N 0 0 234.324 3.023 10 0 BGAERN Cc1nc2cc(N(C)CC3CC3)c(N)cc2s1 ZINC000037925031 180081659 /nfs/dbraw/zinc/08/16/59/180081659.db2.gz LOYUZMLEXUSMHM-UHFFFAOYSA-N 0 0 247.367 3.033 10 0 BGAERN CN(CC1CC1)c1ccc(C(F)(F)F)cc1N ZINC000037925057 172652075 /nfs/dbraw/zinc/65/20/75/172652075.db2.gz PGEWPWOXKMYAST-UHFFFAOYSA-N 0 0 244.260 3.134 10 0 BGAERN Clc1nc(-c2ccccc2Cl)no1 ZINC000037926867 343361026 /nfs/dbraw/zinc/36/10/26/343361026.db2.gz CYJHUZVIAQKYLV-UHFFFAOYSA-N 0 0 215.039 3.043 10 0 BGAERN Clc1ccc(-c2noc(Cl)n2)s1 ZINC000037926887 350292065 /nfs/dbraw/zinc/29/20/65/350292065.db2.gz NLHILJFEOFBMEF-UHFFFAOYSA-N 0 0 221.068 3.105 10 0 BGAERN Cc1cc(C)c(-c2noc(Cl)n2)c(C)c1 ZINC000037926909 350291741 /nfs/dbraw/zinc/29/17/41/350291741.db2.gz BLPQIBYOUXTESW-UHFFFAOYSA-N 0 0 222.675 3.315 10 0 BGAERN Clc1nc(-c2cc3ccccc3o2)no1 ZINC000037926910 350291933 /nfs/dbraw/zinc/29/19/33/350291933.db2.gz IUBSXGWNRJWEQC-UHFFFAOYSA-N 0 0 220.615 3.136 10 0 BGAERN COc1ccccc1CCNc1ccccc1 ZINC000037927681 175323161 /nfs/dbraw/zinc/32/31/61/175323161.db2.gz COEBEQMIEJKGBT-UHFFFAOYSA-N 0 0 227.307 3.350 10 0 BGAERN CCOC(=N)c1ccc2cc(OC)ccc2c1 ZINC000037928119 170180388 /nfs/dbraw/zinc/18/03/88/170180388.db2.gz DHVKRKPGZOWBPS-UHFFFAOYSA-N 0 0 229.279 3.210 10 0 BGAERN CCOC(=N)c1cccc(Cl)c1Cl ZINC000037928133 350291808 /nfs/dbraw/zinc/29/18/08/350291808.db2.gz CXMYQEMDRRKIRD-UHFFFAOYSA-N 0 0 218.083 3.355 10 0 BGAERN CCOC(=N)c1ccc(Cl)c(Cl)c1 ZINC000037928134 350291844 /nfs/dbraw/zinc/29/18/44/350291844.db2.gz RAJJKYHUXLAPLL-UHFFFAOYSA-N 0 0 218.083 3.355 10 0 BGAERN CCOC(=N)c1c(OC)ccc2ccccc21 ZINC000037928175 170180251 /nfs/dbraw/zinc/18/02/51/170180251.db2.gz QCABZCQSHUNOGB-UHFFFAOYSA-N 0 0 229.279 3.210 10 0 BGAERN CCc1cccc2c(-c3csc(N)n3)c[nH]c21 ZINC000037930771 171866762 /nfs/dbraw/zinc/86/67/62/171866762.db2.gz KRYBKTJWXLECMA-UHFFFAOYSA-N 0 0 243.335 3.436 10 0 BGAERN 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COc1cccc(-c2nc(C)c(C)c(Cl)n2)c1 ZINC000037947843 175236619 /nfs/dbraw/zinc/23/66/19/175236619.db2.gz WLBOEOBOECUAJB-UHFFFAOYSA-N 0 0 248.713 3.422 10 0 BGAERN COc1ccccc1-c1nc(C)c(C)c(Cl)n1 ZINC000037947846 175310462 /nfs/dbraw/zinc/31/04/62/175310462.db2.gz DAVUHLZOQYVCFQ-UHFFFAOYSA-N 0 0 248.713 3.422 10 0 BGAERN Cc1ccc(-c2nc(C)c(C)c(Cl)n2)o1 ZINC000037947873 343362304 /nfs/dbraw/zinc/36/23/04/343362304.db2.gz ZWWTYYYGRUMGCM-UHFFFAOYSA-N 0 0 222.675 3.315 10 0 BGAERN Cc1nc(-c2ccco2)nc(Cl)c1C ZINC000037947905 179868320 /nfs/dbraw/zinc/86/83/20/179868320.db2.gz DLLSTJJSUUWHPM-UHFFFAOYSA-N 0 0 208.648 3.007 10 0 BGAERN CCC[C@@](C)(Nc1ccc(C)cc1)C(=O)OC ZINC000037953331 169454033 /nfs/dbraw/zinc/45/40/33/169454033.db2.gz ZAJCZBBNDBHBHN-CQSZACIVSA-N 0 0 235.327 3.139 10 0 BGAERN COC(=O)[C@@](C)(CC(C)C)Nc1ccc(C)cc1 ZINC000037953354 173754601 /nfs/dbraw/zinc/75/46/01/173754601.db2.gz ROMZMZBLJLQKCQ-OAHLLOKOSA-N 0 0 249.354 3.385 10 0 BGAERN CCC(CC)(Nc1ccc(C)cc1)C(=O)OC ZINC000037953394 168332498 /nfs/dbraw/zinc/33/24/98/168332498.db2.gz LNTBPORDYOYIBT-UHFFFAOYSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)[C@](C)(CC)Nc1ccc(C)cc1 ZINC000037953502 170284146 /nfs/dbraw/zinc/28/41/46/170284146.db2.gz SYGFXOAWUCGTMS-AWEZNQCLSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)[C@@](C)(CC)Nc1ccc(C)cc1 ZINC000037953503 170260175 /nfs/dbraw/zinc/26/01/75/170260175.db2.gz SYGFXOAWUCGTMS-CQSZACIVSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)C1(Nc2ccc(C)cc2)CCCC1 ZINC000037953519 170190629 /nfs/dbraw/zinc/19/06/29/170190629.db2.gz BJQKBBRRYCKPLR-UHFFFAOYSA-N 0 0 247.338 3.283 10 0 BGAERN CCOC(=O)[C@](C)(Nc1ccc(C)cc1)C1CC1 ZINC000037953524 170283556 /nfs/dbraw/zinc/28/35/56/170283556.db2.gz NIVCOSBZCVWLNB-OAHLLOKOSA-N 0 0 247.338 3.139 10 0 BGAERN CCOC(=O)[C@@](C)(Nc1ccc(C)cc1)C1CC1 ZINC000037953525 170261091 /nfs/dbraw/zinc/26/10/91/170261091.db2.gz NIVCOSBZCVWLNB-HNNXBMFYSA-N 0 0 247.338 3.139 10 0 BGAERN COC(=O)[C@]1(Nc2ccccc2)CCCC[C@H]1C ZINC000037953937 173839150 /nfs/dbraw/zinc/83/91/50/173839150.db2.gz BMDAZGJYKCWNHN-DOMZBBRYSA-N 0 0 247.338 3.220 10 0 BGAERN COC(=O)[C@]1(Nc2ccccc2)CCC[C@H](C)C1 ZINC000037953942 173838594 /nfs/dbraw/zinc/83/85/94/173838594.db2.gz FBCDYSXKPGBOMY-WFASDCNBSA-N 0 0 247.338 3.220 10 0 BGAERN COC(=O)C1(Nc2ccccc2)CCCCCC1 ZINC000037953961 173516143 /nfs/dbraw/zinc/51/61/43/173516143.db2.gz QXXUJSSXLDCGPM-UHFFFAOYSA-N 0 0 247.338 3.365 10 0 BGAERN COC(=O)[C@@](C)(CC(C)C)Nc1ccccc1 ZINC000037953967 173753808 /nfs/dbraw/zinc/75/38/08/173753808.db2.gz SSFCPVIGGQHHHW-CQSZACIVSA-N 0 0 235.327 3.076 10 0 BGAERN CCCCC[C@H](Nc1ccccc1)C(=O)OC ZINC000037954042 168745497 /nfs/dbraw/zinc/74/54/97/168745497.db2.gz KZYFMSMDHJSDOE-ZDUSSCGKSA-N 0 0 235.327 3.220 10 0 BGAERN COC(=O)[C@H](Nc1ccccc1)C1CCCCC1 ZINC000037954075 173807016 /nfs/dbraw/zinc/80/70/16/173807016.db2.gz IVFOWKZWEXQWJV-CQSZACIVSA-N 0 0 247.338 3.220 10 0 BGAERN CCC[C@](C)(Nc1ccccc1)C(=O)OCC ZINC000037954173 169549831 /nfs/dbraw/zinc/54/98/31/169549831.db2.gz SSMDZBOXHREWHD-AWEZNQCLSA-N 0 0 235.327 3.220 10 0 BGAERN CCC[C@@](C)(Nc1ccccc1)C(=O)OCC ZINC000037954174 169454499 /nfs/dbraw/zinc/45/44/99/169454499.db2.gz SSMDZBOXHREWHD-CQSZACIVSA-N 0 0 235.327 3.220 10 0 BGAERN CCOC(=O)[C@@](C)(CC(C)C)Nc1ccccc1 ZINC000037954196 170260390 /nfs/dbraw/zinc/26/03/90/170260390.db2.gz MSFCFDIQOGGVOV-OAHLLOKOSA-N 0 0 249.354 3.466 10 0 BGAERN CCOC(=O)[C@](C)(CC(C)C)Nc1ccccc1 ZINC000037954197 170283917 /nfs/dbraw/zinc/28/39/17/170283917.db2.gz MSFCFDIQOGGVOV-HNNXBMFYSA-N 0 0 249.354 3.466 10 0 BGAERN CCOC(=O)C(CC)(CC)Nc1ccccc1 ZINC000037954237 170187810 /nfs/dbraw/zinc/18/78/10/170187810.db2.gz XAGJKECBEUFIGA-UHFFFAOYSA-N 0 0 235.327 3.220 10 0 BGAERN CCOC(=O)C1(Nc2ccccc2)CCCCC1 ZINC000037954238 170190617 /nfs/dbraw/zinc/19/06/17/170190617.db2.gz ZKGNIURZFXEKCQ-UHFFFAOYSA-N 0 0 247.338 3.365 10 0 BGAERN CCOC(=O)[C@@H](CC(C)C)Nc1ccccc1 ZINC000037954309 170250035 /nfs/dbraw/zinc/25/00/35/170250035.db2.gz UIIRWRHMCSUOST-CYBMUJFWSA-N 0 0 235.327 3.076 10 0 BGAERN CCOC(=O)[C@H](CC(C)C)Nc1ccccc1 ZINC000037954310 170271365 /nfs/dbraw/zinc/27/13/65/170271365.db2.gz UIIRWRHMCSUOST-ZDUSSCGKSA-N 0 0 235.327 3.076 10 0 BGAERN CCC[C@@](C)(Nc1ccccc1C)C(=O)OC ZINC000037954599 169454569 /nfs/dbraw/zinc/45/45/69/169454569.db2.gz AFCWWSUVMFDCHR-CQSZACIVSA-N 0 0 235.327 3.139 10 0 BGAERN COC(=O)[C@](C)(CC(C)C)Nc1ccccc1C ZINC000037954621 173831727 /nfs/dbraw/zinc/83/17/27/173831727.db2.gz YIUQIWZRMLVXTC-HNNXBMFYSA-N 0 0 249.354 3.385 10 0 BGAERN COC(=O)[C@@](C)(CC(C)C)Nc1ccccc1C ZINC000037954622 173754094 /nfs/dbraw/zinc/75/40/94/173754094.db2.gz YIUQIWZRMLVXTC-OAHLLOKOSA-N 0 0 249.354 3.385 10 0 BGAERN CCC(CC)(Nc1ccccc1C)C(=O)OC ZINC000037954662 168332867 /nfs/dbraw/zinc/33/28/67/168332867.db2.gz SQMXYCZEDAIRKU-UHFFFAOYSA-N 0 0 235.327 3.139 10 0 BGAERN COC(=O)C1(Nc2ccccc2C)CCCCC1 ZINC000037954663 173515526 /nfs/dbraw/zinc/51/55/26/173515526.db2.gz JHYUPYBMZZVENT-UHFFFAOYSA-N 0 0 247.338 3.283 10 0 BGAERN CCOC(=O)[C@](C)(CC)Nc1ccccc1C ZINC000037954770 170284225 /nfs/dbraw/zinc/28/42/25/170284225.db2.gz WELDKLOWYPDLIK-AWEZNQCLSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)[C@@](C)(CC)Nc1ccccc1C ZINC000037954771 170260225 /nfs/dbraw/zinc/26/02/25/170260225.db2.gz WELDKLOWYPDLIK-CQSZACIVSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)C1(Nc2ccccc2C)CCCC1 ZINC000037954787 170190942 /nfs/dbraw/zinc/19/09/42/170190942.db2.gz BNZNWMRZGKFPSJ-UHFFFAOYSA-N 0 0 247.338 3.283 10 0 BGAERN CCOC(=O)[C@](C)(Nc1ccccc1C)C1CC1 ZINC000037954792 170284015 /nfs/dbraw/zinc/28/40/15/170284015.db2.gz URQRKAZEIFUACG-OAHLLOKOSA-N 0 0 247.338 3.139 10 0 BGAERN CCC(CC)(Nc1cccc(C)c1)C(=O)OC ZINC000037958116 168332045 /nfs/dbraw/zinc/33/20/45/168332045.db2.gz RDWQBZQNNOGDIJ-UHFFFAOYSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)[C@](C)(CC)Nc1cccc(C)c1 ZINC000037958226 170283830 /nfs/dbraw/zinc/28/38/30/170283830.db2.gz ZYHABKMXPYTXMZ-AWEZNQCLSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)[C@@](C)(CC)Nc1cccc(C)c1 ZINC000037958227 170260233 /nfs/dbraw/zinc/26/02/33/170260233.db2.gz ZYHABKMXPYTXMZ-CQSZACIVSA-N 0 0 235.327 3.139 10 0 BGAERN CCOC(=O)C1(Nc2cccc(C)c2)CCCC1 ZINC000037958243 170190392 /nfs/dbraw/zinc/19/03/92/170190392.db2.gz AIYWEHQCERDOBH-UHFFFAOYSA-N 0 0 247.338 3.283 10 0 BGAERN CCOC(=O)[C@](C)(Nc1cccc(C)c1)C1CC1 ZINC000037958248 170283499 /nfs/dbraw/zinc/28/34/99/170283499.db2.gz GAUBWCDSPPVXMS-OAHLLOKOSA-N 0 0 247.338 3.139 10 0 BGAERN CCOC(=O)[C@@](C)(Nc1cccc(C)c1)C1CC1 ZINC000037958249 170261357 /nfs/dbraw/zinc/26/13/57/170261357.db2.gz GAUBWCDSPPVXMS-HNNXBMFYSA-N 0 0 247.338 3.139 10 0 BGAERN CC(C)C[NH2+][C@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000037965565 167013349 /nfs/dbraw/zinc/01/33/49/167013349.db2.gz XEPLRHBFROIXNW-AWEZNQCLSA-N 0 0 249.354 3.181 10 0 BGAERN CC(C)C[NH2+][C@@H](C(=O)[O-])c1ccc(C(C)C)cc1 ZINC000037965566 187261807 /nfs/dbraw/zinc/26/18/07/187261807.db2.gz XEPLRHBFROIXNW-CQSZACIVSA-N 0 0 249.354 3.181 10 0 BGAERN CC[C@H](C)C[C@](CC)([NH2+]C1CCCC1)C(=O)[O-] ZINC000037968918 171299547 /nfs/dbraw/zinc/29/95/47/171299547.db2.gz JWIAMQBDKGJYRR-FZMZJTMJSA-N 0 0 241.375 3.188 10 0 BGAERN CC[C@H](C)C[C@@](CC)([NH2+]C1CCCC1)C(=O)[O-] ZINC000037968920 171296303 /nfs/dbraw/zinc/29/63/03/171296303.db2.gz JWIAMQBDKGJYRR-SMDDNHRTSA-N 0 0 241.375 3.188 10 0 BGAERN CCCC(CCC)([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971686 168577999 /nfs/dbraw/zinc/57/79/99/168577999.db2.gz KVFILBSHVNTYCN-UHFFFAOYSA-N 0 0 241.375 3.332 10 0 BGAERN Cc1cccc([C@H]([NH2+]C2CCCCC2)C(=O)[O-])c1 ZINC000037971714 179202526 /nfs/dbraw/zinc/20/25/26/179202526.db2.gz WBIIHMAQUVIKTK-AWEZNQCLSA-N 0 0 247.338 3.043 10 0 BGAERN Cc1cccc([C@@H]([NH2+]C2CCCCC2)C(=O)[O-])c1 ZINC000037971715 179187244 /nfs/dbraw/zinc/18/72/44/179187244.db2.gz WBIIHMAQUVIKTK-CQSZACIVSA-N 0 0 247.338 3.043 10 0 BGAERN Cc1ccccc1[C@H]([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971760 179344169 /nfs/dbraw/zinc/34/41/69/179344169.db2.gz KEEVBYQZTZVCGZ-AWEZNQCLSA-N 0 0 247.338 3.043 10 0 BGAERN Cc1ccccc1[C@@H]([NH2+]C1CCCCC1)C(=O)[O-] ZINC000037971761 179324300 /nfs/dbraw/zinc/32/43/00/179324300.db2.gz KEEVBYQZTZVCGZ-CQSZACIVSA-N 0 0 247.338 3.043 10 0 BGAERN Cc1ccc([C@H]([NH2+]C2CCCCC2)C(=O)[O-])cc1 ZINC000037971762 178909949 /nfs/dbraw/zinc/90/99/49/178909949.db2.gz AWEYBDGXUFCLKJ-AWEZNQCLSA-N 0 0 247.338 3.043 10 0 BGAERN Cc1ccc([C@@H]([NH2+]C2CCCCC2)C(=O)[O-])cc1 ZINC000037971763 178863224 /nfs/dbraw/zinc/86/32/24/178863224.db2.gz AWEYBDGXUFCLKJ-CQSZACIVSA-N 0 0 247.338 3.043 10 0 BGAERN CC(C)C[C@](C)([NH2+]C1CCCCCC1)C(=O)[O-] ZINC000037972380 187261774 /nfs/dbraw/zinc/26/17/74/187261774.db2.gz ZLAZDKSCSLWSOS-AWEZNQCLSA-N 0 0 241.375 3.188 10 0 BGAERN CCOC(=O)[C@](C)(CC)NC1CCCCCC1 ZINC000037972684 170284327 /nfs/dbraw/zinc/28/43/27/170284327.db2.gz UFRONASASXWGEB-AWEZNQCLSA-N 0 0 241.375 3.031 10 0 BGAERN CCOC(=O)[C@@](C)(CC)NC1CCCCCC1 ZINC000037972685 170260375 /nfs/dbraw/zinc/26/03/75/170260375.db2.gz UFRONASASXWGEB-CQSZACIVSA-N 0 0 241.375 3.031 10 0 BGAERN CC[C@@H](CNCC(F)(F)F)c1ccccc1 ZINC000037973955 386104891 /nfs/dbraw/zinc/10/48/91/386104891.db2.gz RCTIXVLMSXZJHB-JTQLQIEISA-N 0 0 231.261 3.332 10 0 BGAERN CC[C@H](CNCC(F)(F)F)c1ccccc1 ZINC000037973956 386104351 /nfs/dbraw/zinc/10/43/51/386104351.db2.gz RCTIXVLMSXZJHB-SNVBAGLBSA-N 0 0 231.261 3.332 10 0 BGAERN FC(F)(F)CNCCCCc1cccs1 ZINC000037973975 180883858 /nfs/dbraw/zinc/88/38/58/180883858.db2.gz XOBRFMNKSMCKII-UHFFFAOYSA-N 0 0 237.290 3.223 10 0 BGAERN FC(F)(F)CNCCc1ccccc1Cl ZINC000037973981 387908453 /nfs/dbraw/zinc/90/84/53/387908453.db2.gz YWUCAWYQFULAOL-UHFFFAOYSA-N 0 0 237.652 3.034 10 0 BGAERN FC(F)(F)CNCCc1ccc(Cl)cc1 ZINC000037973989 386105803 /nfs/dbraw/zinc/10/58/03/386105803.db2.gz QSEAMOXEYFFIRD-UHFFFAOYSA-N 0 0 237.652 3.034 10 0 BGAERN Cc1ccc(-c2nc(C=O)cs2)cc1F ZINC000037974023 178334179 /nfs/dbraw/zinc/33/41/79/178334179.db2.gz ZNDXGOAFNIOOEB-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN Cc1cc(-c2nc(C=O)cs2)ccc1F ZINC000037974024 177690198 /nfs/dbraw/zinc/69/01/98/177690198.db2.gz WSRQDYHEBSTCGO-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN CCOc1cccc(-c2nc(C=O)cs2)c1 ZINC000037974039 170571828 /nfs/dbraw/zinc/57/18/28/170571828.db2.gz PLJXSZNBFDTJNG-UHFFFAOYSA-N 0 0 233.292 3.021 10 0 BGAERN O=Cc1csc(-c2ccc(Cl)s2)n1 ZINC000037974058 384045799 /nfs/dbraw/zinc/04/57/99/384045799.db2.gz KZMZYFDYGZPJAQ-UHFFFAOYSA-N 0 0 229.713 3.338 10 0 BGAERN Cc1ccc(-c2nc(C=O)cs2)c(C)c1 ZINC000037974069 178334310 /nfs/dbraw/zinc/33/43/10/178334310.db2.gz LQHGZZDPUHZLCH-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN CSc1ccc(-c2nc(C=O)cs2)cc1 ZINC000037974073 360878874 /nfs/dbraw/zinc/87/88/74/360878874.db2.gz GMQSTVZXFYBVJG-UHFFFAOYSA-N 0 0 235.333 3.345 10 0 BGAERN CCOc1ccccc1-c1nc(C=O)cs1 ZINC000037974085 187253689 /nfs/dbraw/zinc/25/36/89/187253689.db2.gz QOHYGBRVVQVKRT-UHFFFAOYSA-N 0 0 233.292 3.021 10 0 BGAERN C[C@@H]1C[C@H]1c1ccc(-c2nc(C=O)cs2)o1 ZINC000037974108 187253826 /nfs/dbraw/zinc/25/38/26/187253826.db2.gz IAPHMQKVOYEHFE-VXNVDRBHSA-N 0 0 233.292 3.339 10 0 BGAERN CC(C)Oc1ccc(-c2nc(C=O)cs2)cc1 ZINC000037974123 167288276 /nfs/dbraw/zinc/28/82/76/167288276.db2.gz RQDANVDKGSWIKR-UHFFFAOYSA-N 0 0 247.319 3.410 10 0 BGAERN Nc1ccc(-c2nccn2Cc2ccccc2)cc1 ZINC000037974164 582675287 /nfs/dbraw/zinc/67/52/87/582675287.db2.gz UBCZGCWYJYQYRA-UHFFFAOYSA-N 0 0 249.317 3.181 10 0 BGAERN CC[C@H](C)n1ccnc1-c1ccc(N)cc1 ZINC000037974228 171417678 /nfs/dbraw/zinc/41/76/78/171417678.db2.gz AJRIMQFCOBFTIS-JTQLQIEISA-N 0 0 215.300 3.103 10 0 BGAERN CC(=O)[C@H](C)Oc1cc(C(C)C)ccc1C ZINC000037974445 187254151 /nfs/dbraw/zinc/25/41/51/187254151.db2.gz INNGQAFLVVTJER-LBPRGKRZSA-N 0 0 220.312 3.475 10 0 BGAERN C[C@H](Nc1ncccn1)c1cccc(Cl)c1 ZINC000037975313 350296802 /nfs/dbraw/zinc/29/68/02/350296802.db2.gz ZLTWYTWWMNVAEI-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@H](Nc1cnccn1)c1cccc(Cl)c1 ZINC000037975319 350296370 /nfs/dbraw/zinc/29/63/70/350296370.db2.gz ZPDVXHYYULKVLS-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN CCc1ccc([C@@H](C)Nc2ncccn2)cc1 ZINC000037975934 171832545 /nfs/dbraw/zinc/83/25/45/171832545.db2.gz NWYBCIJUFAFONB-LLVKDONJSA-N 0 0 227.311 3.212 10 0 BGAERN CCc1ccc([C@H](C)Nc2ncccn2)cc1 ZINC000037975935 386112071 /nfs/dbraw/zinc/11/20/71/386112071.db2.gz NWYBCIJUFAFONB-NSHDSACASA-N 0 0 227.311 3.212 10 0 BGAERN CCc1ccc([C@@H](C)Nc2cnccn2)cc1 ZINC000037975936 171832004 /nfs/dbraw/zinc/83/20/04/171832004.db2.gz SWOZYQVOYGZCFP-LLVKDONJSA-N 0 0 227.311 3.212 10 0 BGAERN CCc1ccc([C@H](C)Nc2cnccn2)cc1 ZINC000037975937 171840387 /nfs/dbraw/zinc/84/03/87/171840387.db2.gz SWOZYQVOYGZCFP-NSHDSACASA-N 0 0 227.311 3.212 10 0 BGAERN COc1cccc(Cn2c(C)ccc2C)c1 ZINC000037976118 175273015 /nfs/dbraw/zinc/27/30/15/175273015.db2.gz ZPBCOSKBCKDOPB-UHFFFAOYSA-N 0 0 215.296 3.162 10 0 BGAERN Cc1ccc([C@@H](C)Nc2nccs2)o1 ZINC000037976826 178853087 /nfs/dbraw/zinc/85/30/87/178853087.db2.gz YJMWMOWSURNEES-MRVPVSSYSA-N 0 0 208.286 3.218 10 0 BGAERN Cc1ccc([C@H](C)Nc2nccs2)o1 ZINC000037976827 343363091 /nfs/dbraw/zinc/36/30/91/343363091.db2.gz YJMWMOWSURNEES-QMMMGPOBSA-N 0 0 208.286 3.218 10 0 BGAERN Cc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000037977910 343363080 /nfs/dbraw/zinc/36/30/80/343363080.db2.gz WOMPEOJEIAPHMU-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Cc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000037977911 384046809 /nfs/dbraw/zinc/04/68/09/384046809.db2.gz GTRGJKUOCIQDEM-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Fc1ccccc1Oc1ccc(Cl)nn1 ZINC000037977912 181014868 /nfs/dbraw/zinc/01/48/68/181014868.db2.gz SUNVDSSVYWWROZ-UHFFFAOYSA-N 0 0 224.622 3.061 10 0 BGAERN Fc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000037977913 181002546 /nfs/dbraw/zinc/00/25/46/181002546.db2.gz SUDGTVMEHJFWOX-UHFFFAOYSA-N 0 0 224.622 3.061 10 0 BGAERN O[C@H]1CCC[C@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037979998 183238669 /nfs/dbraw/zinc/23/86/69/183238669.db2.gz WZLBWMVKTUNOLZ-WDEREUQCSA-N 0 0 247.121 3.286 10 0 BGAERN O[C@H]1CCC[C@@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037979999 183237035 /nfs/dbraw/zinc/23/70/35/183237035.db2.gz WZLBWMVKTUNOLZ-QWRGUYRKSA-N 0 0 247.121 3.286 10 0 BGAERN O[C@@H]1CCC[C@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037980000 183197868 /nfs/dbraw/zinc/19/78/68/183197868.db2.gz WZLBWMVKTUNOLZ-GHMZBOCLSA-N 0 0 247.121 3.286 10 0 BGAERN O[C@@H]1CCC[C@@H]1Oc1ccc(Cl)c(Cl)c1 ZINC000037980001 183196093 /nfs/dbraw/zinc/19/60/93/183196093.db2.gz WZLBWMVKTUNOLZ-MNOVXSKESA-N 0 0 247.121 3.286 10 0 BGAERN Cc1ccc([C@@H](C)Nc2cc(C)nc(C)n2)o1 ZINC000037981595 178187085 /nfs/dbraw/zinc/18/70/85/178187085.db2.gz RCRFTKHSQPYBRK-SNVBAGLBSA-N 0 0 231.299 3.168 10 0 BGAERN Cc1ccc([C@H](C)Nc2cc(C)nc(C)n2)o1 ZINC000037981596 178178219 /nfs/dbraw/zinc/17/82/19/178178219.db2.gz RCRFTKHSQPYBRK-JTQLQIEISA-N 0 0 231.299 3.168 10 0 BGAERN Cc1ccc([C@@H](C)Nc2nc(C)cc(C)n2)o1 ZINC000037981597 177946726 /nfs/dbraw/zinc/94/67/26/177946726.db2.gz RETBLPUYPFFNGG-LLVKDONJSA-N 0 0 231.299 3.168 10 0 BGAERN Cc1ccc([C@H](C)Nc2nc(C)cc(C)n2)o1 ZINC000037981598 398335378 /nfs/dbraw/zinc/33/53/78/398335378.db2.gz RETBLPUYPFFNGG-NSHDSACASA-N 0 0 231.299 3.168 10 0 BGAERN Fc1ccccc1Oc1cncc(Cl)n1 ZINC000037981609 181014944 /nfs/dbraw/zinc/01/49/44/181014944.db2.gz ZLTHRIRTKUZAHJ-UHFFFAOYSA-N 0 0 224.622 3.061 10 0 BGAERN Fc1ccccc1Oc1nsnc1Cl ZINC000037981610 181014854 /nfs/dbraw/zinc/01/48/54/181014854.db2.gz UFAUTJAUYQHWSI-UHFFFAOYSA-N 0 0 230.651 3.123 10 0 BGAERN Cc1ccc(Oc2cncc(Cl)n2)cc1 ZINC000037981615 178822581 /nfs/dbraw/zinc/82/25/81/178822581.db2.gz BEFFJSHUFTVDFP-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Fc1ccc(Oc2nsnc2Cl)cc1 ZINC000037981617 343363743 /nfs/dbraw/zinc/36/37/43/343363743.db2.gz VYAVMGWNHYHQDS-UHFFFAOYSA-N 0 0 230.651 3.123 10 0 BGAERN Fc1ccc(Oc2nsnc2Cl)cc1F ZINC000037981694 343363736 /nfs/dbraw/zinc/36/37/36/343363736.db2.gz QWVNXVRCMFWFBA-UHFFFAOYSA-N 0 0 248.641 3.262 10 0 BGAERN COc1ccc(C(=O)Cc2cccs2)cc1 ZINC000037981869 384048767 /nfs/dbraw/zinc/04/87/67/384048767.db2.gz TWJSBZYJSSBNKY-UHFFFAOYSA-N 0 0 232.304 3.182 10 0 BGAERN CCC(CC)N(C)C(=O)c1ccc(F)cc1 ZINC000037982812 168367445 /nfs/dbraw/zinc/36/74/45/168367445.db2.gz JUVPWGLQFYBDEX-UHFFFAOYSA-N 0 0 223.291 3.086 10 0 BGAERN CCC(CC)N(C)C(=O)c1ccccc1F ZINC000037982813 168367006 /nfs/dbraw/zinc/36/70/06/168367006.db2.gz QWDOQADJPBELRK-UHFFFAOYSA-N 0 0 223.291 3.086 10 0 BGAERN CC(C)C[C@H](C)N(C)C(=O)c1ccc(F)cc1 ZINC000037982951 187942545 /nfs/dbraw/zinc/94/25/45/187942545.db2.gz VZGGOPZPQJLDSP-NSHDSACASA-N 0 0 237.318 3.332 10 0 BGAERN CCN(Cc1ccco1)C(=O)c1ccccc1F ZINC000037983638 169921976 /nfs/dbraw/zinc/92/19/76/169921976.db2.gz LEVHUZHAAKNTEO-UHFFFAOYSA-N 0 0 247.269 3.081 10 0 BGAERN c1ccc2nc(NCC[C@@H]3CCCO3)ccc2c1 ZINC000037987985 398335427 /nfs/dbraw/zinc/33/54/27/398335427.db2.gz HRRPAYUVRAVJPX-ZDUSSCGKSA-N 0 0 242.322 3.216 10 0 BGAERN COc1cccc(C(=O)Cc2ccc(C)cc2)c1 ZINC000037992300 175242551 /nfs/dbraw/zinc/24/25/51/175242551.db2.gz UBYWTZDRLRITMJ-UHFFFAOYSA-N 0 0 240.302 3.429 10 0 BGAERN COc1cccc(C(=O)Cc2ccccc2F)c1 ZINC000037992301 175242858 /nfs/dbraw/zinc/24/28/58/175242858.db2.gz GMGCDWHNGPMGGO-UHFFFAOYSA-N 0 0 244.265 3.260 10 0 BGAERN COc1cccc(C(=O)Cc2ccccc2C)c1 ZINC000037992302 175242088 /nfs/dbraw/zinc/24/20/88/175242088.db2.gz DQRRBMMTVHSNDQ-UHFFFAOYSA-N 0 0 240.302 3.429 10 0 BGAERN O=C(Cc1ccccc1F)c1cccc(F)c1 ZINC000037992308 182046050 /nfs/dbraw/zinc/04/60/50/182046050.db2.gz ZAUNTLDTTQQVMH-UHFFFAOYSA-N 0 0 232.229 3.390 10 0 BGAERN O=C(Cc1ccc(F)cc1)c1ccsc1 ZINC000037992330 350295711 /nfs/dbraw/zinc/29/57/11/350295711.db2.gz IXMUWDSNENTHQG-UHFFFAOYSA-N 0 0 220.268 3.313 10 0 BGAERN O=C(Cc1ccccc1F)c1ccsc1 ZINC000037992333 350295486 /nfs/dbraw/zinc/29/54/86/350295486.db2.gz XYPPVEXAGOISNJ-UHFFFAOYSA-N 0 0 220.268 3.313 10 0 BGAERN Cc1ccccc1CC(=O)c1ccsc1 ZINC000037992334 350295600 /nfs/dbraw/zinc/29/56/00/350295600.db2.gz JUIGGBGOVQACCC-UHFFFAOYSA-N 0 0 216.305 3.482 10 0 BGAERN O=C(Cc1cccc(F)c1)c1ccsc1 ZINC000037992335 350295636 /nfs/dbraw/zinc/29/56/36/350295636.db2.gz IPDKAYWEYFRITD-UHFFFAOYSA-N 0 0 220.268 3.313 10 0 BGAERN CC(C)(C)C(=O)Cc1ccccc1Cl ZINC000037992355 343364460 /nfs/dbraw/zinc/36/44/60/343364460.db2.gz DQTYNMHDDCHKIJ-UHFFFAOYSA-N 0 0 210.704 3.498 10 0 BGAERN CC(C)[C@@H](C)Nc1nc2ccccc2o1 ZINC000037998396 167388246 /nfs/dbraw/zinc/38/82/46/167388246.db2.gz KNGWMLNDBDMUBI-SECBINFHSA-N 0 0 204.273 3.284 10 0 BGAERN CC(C)[C@H](C)Nc1nc2ccccc2o1 ZINC000037998397 187254935 /nfs/dbraw/zinc/25/49/35/187254935.db2.gz KNGWMLNDBDMUBI-VIFPVBQESA-N 0 0 204.273 3.284 10 0 BGAERN c1cc2c(ccnc2NCC[C@@H]2CCCO2)s1 ZINC000037998847 183378427 /nfs/dbraw/zinc/37/84/27/183378427.db2.gz DBWOKSLSUDWMLT-JTQLQIEISA-N 0 0 248.351 3.277 10 0 BGAERN Nc1cccc2c1CCCN2Cc1ccccc1 ZINC000038000016 132450285 /nfs/dbraw/zinc/45/02/85/132450285.db2.gz VHTPSJXDSDBPOX-UHFFFAOYSA-N 0 0 238.334 3.222 10 0 BGAERN COc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1 ZINC000038000976 175038820 /nfs/dbraw/zinc/03/88/20/175038820.db2.gz IWTMYOZBZBLBEL-UHFFFAOYSA-N 0 0 248.713 3.422 10 0 BGAERN Cc1nc(-c2ccsc2)nc(Cl)c1C ZINC000038000980 384054164 /nfs/dbraw/zinc/05/41/64/384054164.db2.gz DBBZUIYMRXLLEC-UHFFFAOYSA-N 0 0 224.716 3.475 10 0 BGAERN CCc1c(C)nc(CC(C)C)nc1Cl ZINC000038004028 343364767 /nfs/dbraw/zinc/36/47/67/343364767.db2.gz ZHLITXBXHGXXOJ-UHFFFAOYSA-N 0 0 212.724 3.199 10 0 BGAERN CCc1c(C)nc(-c2ccncc2)nc1Cl ZINC000038004031 171740810 /nfs/dbraw/zinc/74/08/10/171740810.db2.gz OSHNJVNJDPTZGX-UHFFFAOYSA-N 0 0 233.702 3.063 10 0 BGAERN CCc1c(C)nc(C(C)(C)C)nc1Cl ZINC000038004040 343364857 /nfs/dbraw/zinc/36/48/57/343364857.db2.gz GSUGMWKAHBVZDX-UHFFFAOYSA-N 0 0 212.724 3.298 10 0 BGAERN CCc1ccc(C[C@H](CC)C(C)=O)s1 ZINC000038004157 171814782 /nfs/dbraw/zinc/81/47/82/171814782.db2.gz LTSBTXIXCTYPTB-JTQLQIEISA-N 0 0 210.342 3.468 10 0 BGAERN CC[C@H](Cc1cccc(F)c1F)C(C)=O ZINC000038004249 171470287 /nfs/dbraw/zinc/47/02/87/171470287.db2.gz GFVQVUGEBMSYLH-SECBINFHSA-N 0 0 212.239 3.123 10 0 BGAERN CCCOc1cccc2c(=O)c(CC)c(C)[nH]c12 ZINC000038005069 169326250 /nfs/dbraw/zinc/32/62/50/169326250.db2.gz NDSDTDQDQWSZFU-UHFFFAOYSA-N 0 0 245.322 3.188 10 0 BGAERN Cc1cc(Nc2cc(N)ccc2Cl)nc(C)n1 ZINC000038033835 178192113 /nfs/dbraw/zinc/19/21/13/178192113.db2.gz AVZBAUKWONUWHX-UHFFFAOYSA-N 0 0 248.717 3.073 10 0 BGAERN Nc1ccc(Cl)c(Nc2nccs2)c1 ZINC000038033912 181709482 /nfs/dbraw/zinc/70/94/82/181709482.db2.gz JGYKWVOWIACOMR-UHFFFAOYSA-N 0 0 225.704 3.122 10 0 BGAERN Cc1csc(Nc2cc(N)ccc2Cl)n1 ZINC000038033913 179790869 /nfs/dbraw/zinc/79/08/69/179790869.db2.gz LAXBLPUSEBFDSV-UHFFFAOYSA-N 0 0 239.731 3.431 10 0 BGAERN Cc1cccc(Nc2cc(N)ccc2Cl)n1 ZINC000038033924 179159501 /nfs/dbraw/zinc/15/95/01/179159501.db2.gz DZYDNIZFEPMEDK-UHFFFAOYSA-N 0 0 233.702 3.369 10 0 BGAERN CN(c1ccccc1)c1c(F)cc(N)cc1F ZINC000038039793 172950126 /nfs/dbraw/zinc/95/01/26/172950126.db2.gz CWKMFVUZVKISOJ-UHFFFAOYSA-N 0 0 234.249 3.315 10 0 BGAERN CCCN(CCC)c1c(F)cc(N)cc1F ZINC000038039806 169152989 /nfs/dbraw/zinc/15/29/89/169152989.db2.gz ACGAZKQMJZNRNM-UHFFFAOYSA-N 0 0 228.286 3.173 10 0 BGAERN C[C@@H]1C[C@H](C)CN(c2c(F)cc(N)cc2F)C1 ZINC000038039819 132345769 /nfs/dbraw/zinc/34/57/69/132345769.db2.gz RDCFOPPPHSQXAN-DTORHVGOSA-N 0 0 240.297 3.029 10 0 BGAERN C[C@H]1C[C@H](C)CN(c2c(F)cc(N)cc2F)C1 ZINC000038039820 132345764 /nfs/dbraw/zinc/34/57/64/132345764.db2.gz RDCFOPPPHSQXAN-IUCAKERBSA-N 0 0 240.297 3.029 10 0 BGAERN C[C@@H]1C[C@@H](C)CN(c2c(F)cc(N)cc2F)C1 ZINC000038039821 132345853 /nfs/dbraw/zinc/34/58/53/132345853.db2.gz RDCFOPPPHSQXAN-RKDXNWHRSA-N 0 0 240.297 3.029 10 0 BGAERN CN(Cc1ccccc1)c1c(F)cc(N)cc1F ZINC000038039828 386115181 /nfs/dbraw/zinc/11/51/81/386115181.db2.gz MGPDOGFGGFCJTR-UHFFFAOYSA-N 0 0 248.276 3.183 10 0 BGAERN CCC(CC)Nc1c(F)cc(N)cc1F ZINC000038039867 168393902 /nfs/dbraw/zinc/39/39/02/168393902.db2.gz KROLSGZRSGRUKA-UHFFFAOYSA-N 0 0 214.259 3.148 10 0 BGAERN CCC[C@@H](C)Nc1c(F)cc(N)cc1F ZINC000038039878 169371617 /nfs/dbraw/zinc/37/16/17/169371617.db2.gz CBWLTPKJVUADRC-SSDOTTSWSA-N 0 0 214.259 3.148 10 0 BGAERN Nc1cc(F)c(NCc2ccccc2)c(F)c1 ZINC000038039881 350300325 /nfs/dbraw/zinc/30/03/25/350300325.db2.gz SGSSMMAEMGMZPH-UHFFFAOYSA-N 0 0 234.249 3.159 10 0 BGAERN CC(C)CCNc1c(F)cc(N)cc1F ZINC000038039894 166867596 /nfs/dbraw/zinc/86/75/96/166867596.db2.gz WZOVISQRLUCVAP-UHFFFAOYSA-N 0 0 214.259 3.005 10 0 BGAERN Nc1cc(F)c(NCCc2ccccc2)c(F)c1 ZINC000038039905 181685709 /nfs/dbraw/zinc/68/57/09/181685709.db2.gz IXAUGQGHSMDFQG-UHFFFAOYSA-N 0 0 248.276 3.202 10 0 BGAERN Cc1ccc(CNc2c(F)cc(N)cc2F)cc1 ZINC000038039925 178636406 /nfs/dbraw/zinc/63/64/06/178636406.db2.gz RPRRXABWHPLEOO-UHFFFAOYSA-N 0 0 248.276 3.468 10 0 BGAERN CC(C)[C@@H](C)Nc1c(F)cc(N)cc1F ZINC000038039938 167386254 /nfs/dbraw/zinc/38/62/54/167386254.db2.gz SULNIXBNTVLSLT-SSDOTTSWSA-N 0 0 214.259 3.003 10 0 BGAERN CC(C)[C@H](C)Nc1c(F)cc(N)cc1F ZINC000038039939 188283472 /nfs/dbraw/zinc/28/34/72/188283472.db2.gz SULNIXBNTVLSLT-ZETCQYMHSA-N 0 0 214.259 3.003 10 0 BGAERN CCC(C)(C)Nc1c(F)cc(N)cc1F ZINC000038039944 168303364 /nfs/dbraw/zinc/30/33/64/168303364.db2.gz MIHKURBDXADJHC-UHFFFAOYSA-N 0 0 214.259 3.148 10 0 BGAERN CC[C@@H]1CCCCN1c1c(F)cc(N)cc1F ZINC000038040051 132345877 /nfs/dbraw/zinc/34/58/77/132345877.db2.gz JYCSRMLWJMVMIV-SNVBAGLBSA-N 0 0 240.297 3.316 10 0 BGAERN CC[C@H]1CCCCN1c1c(F)cc(N)cc1F ZINC000038040052 132345810 /nfs/dbraw/zinc/34/58/10/132345810.db2.gz JYCSRMLWJMVMIV-JTQLQIEISA-N 0 0 240.297 3.316 10 0 BGAERN CCCN(c1c(F)cc(N)cc1F)C(C)C ZINC000038040055 169181658 /nfs/dbraw/zinc/18/16/58/169181658.db2.gz FHZPAUNDYCMRSY-UHFFFAOYSA-N 0 0 228.286 3.172 10 0 BGAERN CC[C@H](C)N(CC)c1c(F)cc(N)cc1F ZINC000038040063 171311656 /nfs/dbraw/zinc/31/16/56/171311656.db2.gz XYIQTRIYEFGPPS-QMMMGPOBSA-N 0 0 228.286 3.172 10 0 BGAERN CC[C@@H](C)CN(C)c1c(F)cc(N)cc1F ZINC000038040065 170700276 /nfs/dbraw/zinc/70/02/76/170700276.db2.gz QSXHTCPHEZUCCO-MRVPVSSYSA-N 0 0 228.286 3.029 10 0 BGAERN CC[C@H](C)CN(C)c1c(F)cc(N)cc1F ZINC000038040066 171275576 /nfs/dbraw/zinc/27/55/76/171275576.db2.gz QSXHTCPHEZUCCO-QMMMGPOBSA-N 0 0 228.286 3.029 10 0 BGAERN Nc1cc(F)c(NCC2CCCC2)c(F)c1 ZINC000038040076 181685680 /nfs/dbraw/zinc/68/56/80/181685680.db2.gz KGPKYMQXQYNLTR-UHFFFAOYSA-N 0 0 226.270 3.149 10 0 BGAERN C[C@@H](Nc1c(F)cc(N)cc1F)c1cccnc1 ZINC000038040101 175928774 /nfs/dbraw/zinc/92/87/74/175928774.db2.gz AJNZJCBKOKMFKV-MRVPVSSYSA-N 0 0 249.264 3.115 10 0 BGAERN CC(C)[C@@H](C)N(C)c1c(F)cc(N)cc1F ZINC000038040145 167370637 /nfs/dbraw/zinc/37/06/37/167370637.db2.gz YTVDOFGENDTKFY-MRVPVSSYSA-N 0 0 228.286 3.028 10 0 BGAERN CCC(CC)N(C)c1c(F)cc(N)cc1F ZINC000038040147 168369656 /nfs/dbraw/zinc/36/96/56/168369656.db2.gz MEIMTBXGDIQNPO-UHFFFAOYSA-N 0 0 228.286 3.172 10 0 BGAERN CCC[C@@H](C)N(C)c1c(F)cc(N)cc1F ZINC000038040148 169366498 /nfs/dbraw/zinc/36/64/98/169366498.db2.gz FUSBPDHWQSIDDJ-MRVPVSSYSA-N 0 0 228.286 3.172 10 0 BGAERN CC[C@@H]1CCCN(c2c(F)cc(N)cc2F)C1 ZINC000038040170 132346125 /nfs/dbraw/zinc/34/61/25/132346125.db2.gz MLRJBYVSVXOZHA-SECBINFHSA-N 0 0 240.297 3.173 10 0 BGAERN CC[C@H]1CCCN(c2c(F)cc(N)cc2F)C1 ZINC000038040171 132346131 /nfs/dbraw/zinc/34/61/31/132346131.db2.gz MLRJBYVSVXOZHA-VIFPVBQESA-N 0 0 240.297 3.173 10 0 BGAERN CCCN(CC1CC1)c1c(F)cc(N)cc1F ZINC000038040181 169138604 /nfs/dbraw/zinc/13/86/04/169138604.db2.gz YKICYLQXVJSZMG-UHFFFAOYSA-N 0 0 240.297 3.173 10 0 BGAERN Cc1ccccc1CNc1c(F)cc(N)cc1F ZINC000038040215 179284471 /nfs/dbraw/zinc/28/44/71/179284471.db2.gz QAOZXGXSTKROEY-UHFFFAOYSA-N 0 0 248.276 3.468 10 0 BGAERN Cc1cccc(CNc2c(F)cc(N)cc2F)c1 ZINC000038040216 179102334 /nfs/dbraw/zinc/10/23/34/179102334.db2.gz WMNURFBQZYCITO-UHFFFAOYSA-N 0 0 248.276 3.468 10 0 BGAERN Nc1cc(F)c(OCc2ccccc2)c(F)c1 ZINC000038040240 343143534 /nfs/dbraw/zinc/14/35/34/343143534.db2.gz FKRSQFDHYHBHFX-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN Nc1cc(F)c(Oc2ccc(F)cc2)c(F)c1 ZINC000038040273 181685565 /nfs/dbraw/zinc/68/55/65/181685565.db2.gz ZSMNCJYXFNBIOD-UHFFFAOYSA-N 0 0 239.196 3.478 10 0 BGAERN CCC(C)(C)Oc1c(F)cc(N)cc1F ZINC000038040351 168304148 /nfs/dbraw/zinc/30/41/48/168304148.db2.gz NZNWBEIDWZSAPE-UHFFFAOYSA-N 0 0 215.243 3.114 10 0 BGAERN Nc1cc(F)c(Sc2ccccn2)c(F)c1 ZINC000038040412 181686028 /nfs/dbraw/zinc/68/60/28/181686028.db2.gz OOOYPDHOPBPSFQ-UHFFFAOYSA-N 0 0 238.262 3.093 10 0 BGAERN CC[C@@H](C)Sc1c(F)cc(N)cc1F ZINC000038040427 343366812 /nfs/dbraw/zinc/36/68/12/343366812.db2.gz NXTXGOPEOZOHDC-ZCFIWIBFSA-N 0 0 217.284 3.438 10 0 BGAERN CC[C@H](C)Sc1c(F)cc(N)cc1F ZINC000038040428 171357131 /nfs/dbraw/zinc/35/71/31/171357131.db2.gz NXTXGOPEOZOHDC-LURJTMIESA-N 0 0 217.284 3.438 10 0 BGAERN CCCSc1c(F)cc(N)cc1F ZINC000038040431 169341073 /nfs/dbraw/zinc/34/10/73/169341073.db2.gz WYZCMFRVZCDSOQ-UHFFFAOYSA-N 0 0 203.257 3.049 10 0 BGAERN CC(C)CSc1c(F)cc(N)cc1F ZINC000038040435 343366819 /nfs/dbraw/zinc/36/68/19/343366819.db2.gz PHVMEQBHWHHLDC-UHFFFAOYSA-N 0 0 217.284 3.295 10 0 BGAERN CC(C)Sc1c(F)cc(N)cc1F ZINC000038040452 167336367 /nfs/dbraw/zinc/33/63/67/167336367.db2.gz LPTAEFLKMDEQJZ-UHFFFAOYSA-N 0 0 203.257 3.048 10 0 BGAERN CCCCCN1CCSc2ccc(N)cc21 ZINC000038051462 132346134 /nfs/dbraw/zinc/34/61/34/132346134.db2.gz VWIIFHQINQFHAU-UHFFFAOYSA-N 0 0 236.384 3.371 10 0 BGAERN CC(C)CCN1CCSc2ccc(N)cc21 ZINC000038051471 132345985 /nfs/dbraw/zinc/34/59/85/132345985.db2.gz XTRZAZITJQLLKP-UHFFFAOYSA-N 0 0 236.384 3.227 10 0 BGAERN Nc1ccc2c(c1)N(C1CCCC1)CCS2 ZINC000038051509 132346194 /nfs/dbraw/zinc/34/61/94/132346194.db2.gz RDZIQYZKONBRCG-UHFFFAOYSA-N 0 0 234.368 3.124 10 0 BGAERN Cc1cccc2oc([C@H](N)C(C)(C)C)nc21 ZINC000038052680 179233528 /nfs/dbraw/zinc/23/35/28/179233528.db2.gz KZBWCHAFYQSNPP-NSHDSACASA-N 0 0 218.300 3.182 10 0 BGAERN Cc1cccc2oc([C@@H](N)C(C)(C)C)nc21 ZINC000038052681 179233476 /nfs/dbraw/zinc/23/34/76/179233476.db2.gz KZBWCHAFYQSNPP-LLVKDONJSA-N 0 0 218.300 3.182 10 0 BGAERN Cc1cccc2oc(-c3ccc(N)c(O)c3)nc21 ZINC000038052712 179233431 /nfs/dbraw/zinc/23/34/31/179233431.db2.gz WJXTWTBPSVOJFW-UHFFFAOYSA-N 0 0 240.262 3.091 10 0 BGAERN Cc1cccc2oc([C@H](N)c3ccccc3)nc21 ZINC000038052765 179232741 /nfs/dbraw/zinc/23/27/41/179232741.db2.gz RLSVGHNUQRFAIC-CYBMUJFWSA-N 0 0 238.290 3.184 10 0 BGAERN Cc1cccc2oc([C@@H](N)c3ccccc3)nc21 ZINC000038052766 179232724 /nfs/dbraw/zinc/23/27/24/179232724.db2.gz RLSVGHNUQRFAIC-ZDUSSCGKSA-N 0 0 238.290 3.184 10 0 BGAERN Cc1cccc2oc(-c3sccc3N)nc21 ZINC000038052797 179233215 /nfs/dbraw/zinc/23/32/15/179233215.db2.gz RNXPAPFODADJDV-UHFFFAOYSA-N 0 0 230.292 3.447 10 0 BGAERN Cc1cccc2oc([C@H](N)CC(C)C)nc21 ZINC000038052804 179232991 /nfs/dbraw/zinc/23/29/91/179232991.db2.gz HCQRENGTLZWXNR-SNVBAGLBSA-N 0 0 218.300 3.182 10 0 BGAERN Cc1cccc2oc([C@@H](N)CC(C)C)nc21 ZINC000038052805 179232764 /nfs/dbraw/zinc/23/27/64/179232764.db2.gz HCQRENGTLZWXNR-JTQLQIEISA-N 0 0 218.300 3.182 10 0 BGAERN Cc1ccc(C(C)C)c2c1OCCCC2=O ZINC000038052827 178453385 /nfs/dbraw/zinc/45/33/85/178453385.db2.gz MFWMMDVVRVYYRG-UHFFFAOYSA-N 0 0 218.296 3.474 10 0 BGAERN Cc1ccc(C(C)C)cc1O[C@H]1CCC[C@@H]1O ZINC000038052916 526250611 /nfs/dbraw/zinc/25/06/11/526250611.db2.gz PNJXNWBHFLUQIO-KBPBESRZSA-N 0 0 234.339 3.411 10 0 BGAERN Cc1ccc(C(C)C)cc1O[C@H]1CCC[C@H]1O ZINC000038052918 178454763 /nfs/dbraw/zinc/45/47/63/178454763.db2.gz PNJXNWBHFLUQIO-KGLIPLIRSA-N 0 0 234.339 3.411 10 0 BGAERN Cc1ccc(C)c(C(=O)Cn2cc(Cl)cn2)c1 ZINC000038053740 178464417 /nfs/dbraw/zinc/46/44/17/178464417.db2.gz MPANVUKHIHSKSC-UHFFFAOYSA-N 0 0 248.713 3.036 10 0 BGAERN Cc1ccc(C(=O)Cn2cc(Cl)cn2)c(C)c1 ZINC000038053768 178374933 /nfs/dbraw/zinc/37/49/33/178374933.db2.gz COPOYYCDSMBVRG-UHFFFAOYSA-N 0 0 248.713 3.036 10 0 BGAERN Cc1ccc(C(=O)Cn2cc(Cl)cn2)cc1C ZINC000038053777 178375232 /nfs/dbraw/zinc/37/52/32/178375232.db2.gz OJQIDYIUMIVNHG-UHFFFAOYSA-N 0 0 248.713 3.036 10 0 BGAERN CC[C@H](C(=O)c1ccccc1)n1cc(Cl)cn1 ZINC000038053785 171241854 /nfs/dbraw/zinc/24/18/54/171241854.db2.gz RIQOFDWSSYNNQJ-GFCCVEGCSA-N 0 0 248.713 3.371 10 0 BGAERN Cc1ccc(C(=O)[C@@H](C)n2cc(Cl)cn2)cc1 ZINC000038053819 178443757 /nfs/dbraw/zinc/44/37/57/178443757.db2.gz QKIJCQUVAYGQTO-SNVBAGLBSA-N 0 0 248.713 3.289 10 0 BGAERN Cc1ccc(C(=O)[C@H](C)n2cc(Cl)cn2)cc1 ZINC000038053820 384998758 /nfs/dbraw/zinc/99/87/58/384998758.db2.gz QKIJCQUVAYGQTO-JTQLQIEISA-N 0 0 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NFNWQNBIZUNOMD-UHFFFAOYSA-N 0 0 227.219 3.326 10 0 BGAERN Oc1ccccc1Oc1nc2ccccc2o1 ZINC000038074713 183304206 /nfs/dbraw/zinc/30/42/06/183304206.db2.gz BRTBEJXASJPQAO-UHFFFAOYSA-N 0 0 227.219 3.326 10 0 BGAERN Oc1cccc(Oc2nc3ccccc3o2)c1 ZINC000038074714 183292397 /nfs/dbraw/zinc/29/23/97/183292397.db2.gz RVZIPEHODHAOOJ-UHFFFAOYSA-N 0 0 227.219 3.326 10 0 BGAERN Brc1cnn(C2CCCCC2)c1 ZINC000038074775 166106612 /nfs/dbraw/zinc/10/66/12/166106612.db2.gz ATXUIOFYFBFTSE-UHFFFAOYSA-N 0 0 229.121 3.151 10 0 BGAERN O=C(Nc1cccc(O)c1)Nc1cccc(F)c1 ZINC000038076482 182370608 /nfs/dbraw/zinc/37/06/08/182370608.db2.gz BTMURYSDUFQOII-UHFFFAOYSA-N 0 0 246.241 3.175 10 0 BGAERN Cc1cc(C)cc(CC(=O)c2ccccn2)c1 ZINC000038077165 177895909 /nfs/dbraw/zinc/89/59/09/177895909.db2.gz YDPZEJJQLHSEKE-UHFFFAOYSA-N 0 0 225.291 3.124 10 0 BGAERN Cc1cc(C)cc(CC(=O)c2ccncc2)c1 ZINC000038077167 177895945 /nfs/dbraw/zinc/89/59/45/177895945.db2.gz PVUGQAQATBRFRA-UHFFFAOYSA-N 0 0 225.291 3.124 10 0 BGAERN Cc1cc(C)cc(CC(=O)Cc2ccccn2)c1 ZINC000038077177 177895801 /nfs/dbraw/zinc/89/58/01/177895801.db2.gz LZTLWEGDGLTVTK-UHFFFAOYSA-N 0 0 239.318 3.053 10 0 BGAERN Cc1cc(C)cc(CC(=O)C(C)(C)C)c1 ZINC000038077184 350304843 /nfs/dbraw/zinc/30/48/43/350304843.db2.gz AVZQVUFPUJSAOY-UHFFFAOYSA-N 0 0 204.313 3.461 10 0 BGAERN COc1cccc(CNc2ccc(N)cc2C)c1 ZINC000038077947 175268769 /nfs/dbraw/zinc/26/87/69/175268769.db2.gz XMSKEXVEUPAKSA-UHFFFAOYSA-N 0 0 242.322 3.198 10 0 BGAERN COc1cccc(CNc2ccc(C)cc2N)c1 ZINC000038077948 175268690 /nfs/dbraw/zinc/26/86/90/175268690.db2.gz SWMBQWDYJHVQRQ-UHFFFAOYSA-N 0 0 242.322 3.198 10 0 BGAERN COc1cccc(CNc2ccc(N)c(C)c2)c1 ZINC000038077953 175268919 /nfs/dbraw/zinc/26/89/19/175268919.db2.gz COZGCTOABKXVHJ-UHFFFAOYSA-N 0 0 242.322 3.198 10 0 BGAERN COc1cccc(CNc2cccc(F)c2N)c1 ZINC000038077973 175268865 /nfs/dbraw/zinc/26/88/65/175268865.db2.gz XXKGFXJSFCBQDI-UHFFFAOYSA-N 0 0 246.285 3.029 10 0 BGAERN COc1cccc(CNc2cc(N)cc(F)c2)c1 ZINC000038077974 175269123 /nfs/dbraw/zinc/26/91/23/175269123.db2.gz BAKZGSKBMLLWBM-UHFFFAOYSA-N 0 0 246.285 3.029 10 0 BGAERN OC1(c2ccccc2Cl)CCCCC1 ZINC000038078253 259327572 /nfs/dbraw/zinc/32/75/72/259327572.db2.gz SGPNTBVCSTWPIW-UHFFFAOYSA-N 0 0 210.704 3.492 10 0 BGAERN OC1(c2ccccc2Cl)Cc2ccccc2C1 ZINC000038078274 183022937 /nfs/dbraw/zinc/02/29/37/183022937.db2.gz LUQAOWHNGVMISI-UHFFFAOYSA-N 0 0 244.721 3.326 10 0 BGAERN COc1ccc([C@H](O)c2ccccc2Cl)cc1 ZINC000038078373 175193874 /nfs/dbraw/zinc/19/38/74/175193874.db2.gz UUEPWIXHFLTJNQ-AWEZNQCLSA-N 0 0 248.709 3.430 10 0 BGAERN COc1ccc([C@@H](O)c2ccccc2Cl)cc1 ZINC000038078374 348049653 /nfs/dbraw/zinc/04/96/53/348049653.db2.gz UUEPWIXHFLTJNQ-CQSZACIVSA-N 0 0 248.709 3.430 10 0 BGAERN COc1ccccc1[C@H](O)c1ccccc1Cl ZINC000038078375 175354537 /nfs/dbraw/zinc/35/45/37/175354537.db2.gz NHXGNVYUFJPSRT-CQSZACIVSA-N 0 0 248.709 3.430 10 0 BGAERN COc1ccccc1[C@@H](O)c1ccccc1Cl ZINC000038078376 175347327 /nfs/dbraw/zinc/34/73/27/175347327.db2.gz NHXGNVYUFJPSRT-AWEZNQCLSA-N 0 0 248.709 3.430 10 0 BGAERN COc1cccc([C@H](O)c2ccccc2Cl)c1 ZINC000038078379 175294634 /nfs/dbraw/zinc/29/46/34/175294634.db2.gz AQTLTBUAINJDQE-AWEZNQCLSA-N 0 0 248.709 3.430 10 0 BGAERN COc1cccc([C@@H](O)c2ccccc2Cl)c1 ZINC000038078380 175289980 /nfs/dbraw/zinc/28/99/80/175289980.db2.gz AQTLTBUAINJDQE-CQSZACIVSA-N 0 0 248.709 3.430 10 0 BGAERN O[C@H](c1cccs1)c1ccccc1Cl ZINC000038078389 350305183 /nfs/dbraw/zinc/30/51/83/350305183.db2.gz IQYQUQSGSMGBMO-NSHDSACASA-N 0 0 224.712 3.483 10 0 BGAERN O[C@@H](c1cccs1)c1ccccc1Cl ZINC000038078390 350305132 /nfs/dbraw/zinc/30/51/32/350305132.db2.gz IQYQUQSGSMGBMO-LLVKDONJSA-N 0 0 224.712 3.483 10 0 BGAERN O[C@H](c1ccsc1)c1ccccc1Cl ZINC000038078403 350305156 /nfs/dbraw/zinc/30/51/56/350305156.db2.gz FDCVZNMNJMOSJB-LLVKDONJSA-N 0 0 224.712 3.483 10 0 BGAERN O[C@@H](c1ccsc1)c1ccccc1Cl ZINC000038078404 350304984 /nfs/dbraw/zinc/30/49/84/350304984.db2.gz FDCVZNMNJMOSJB-NSHDSACASA-N 0 0 224.712 3.483 10 0 BGAERN CCN[C@H](c1ccccn1)c1ccccc1Cl ZINC000038078537 170164650 /nfs/dbraw/zinc/16/46/50/170164650.db2.gz BUTCAUGGZDOXQV-AWEZNQCLSA-N 0 0 246.741 3.434 10 0 BGAERN CCN[C@@H](c1ccccn1)c1ccccc1Cl ZINC000038078538 170148256 /nfs/dbraw/zinc/14/82/56/170148256.db2.gz BUTCAUGGZDOXQV-CQSZACIVSA-N 0 0 246.741 3.434 10 0 BGAERN Oc1ccc(SC[C@H](O)c2ccccc2)cc1 ZINC000038079053 187943824 /nfs/dbraw/zinc/94/38/24/187943824.db2.gz PFVKMVXWOWFKDJ-AWEZNQCLSA-N 0 0 246.331 3.218 10 0 BGAERN Fc1ccc(Oc2nsnc2Cl)c(F)c1 ZINC000038082202 350305469 /nfs/dbraw/zinc/30/54/69/350305469.db2.gz VBNPNRHGMZINJB-UHFFFAOYSA-N 0 0 248.641 3.262 10 0 BGAERN Cc1cccc(Oc2cncc(Cl)n2)c1 ZINC000038082284 350305730 /nfs/dbraw/zinc/30/57/30/350305730.db2.gz UQZWCKTXXQLGFS-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Cc1ccccc1Oc1nsnc1Cl ZINC000038082290 350305739 /nfs/dbraw/zinc/30/57/39/350305739.db2.gz ITCMMMKYGFXBAZ-UHFFFAOYSA-N 0 0 226.688 3.292 10 0 BGAERN Fc1cccc(Oc2nsnc2Cl)c1 ZINC000038082313 350305818 /nfs/dbraw/zinc/30/58/18/350305818.db2.gz SGVPSAWZTSMDHC-UHFFFAOYSA-N 0 0 230.651 3.123 10 0 BGAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)C1CCCC1 ZINC000038089952 176014987 /nfs/dbraw/zinc/01/49/87/176014987.db2.gz MONGWQQGJRGAOF-NSHDSACASA-N 0 0 247.338 3.102 10 0 BGAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)C1CCCC1 ZINC000038089953 177035710 /nfs/dbraw/zinc/03/57/10/177035710.db2.gz MONGWQQGJRGAOF-LLVKDONJSA-N 0 0 247.338 3.102 10 0 BGAERN CCC(CC)C(=O)N(C)[C@@H](C)c1ccc(O)cc1 ZINC000038090028 168332656 /nfs/dbraw/zinc/33/26/56/168332656.db2.gz DLHFGGKCDQDEGS-NSHDSACASA-N 0 0 249.354 3.348 10 0 BGAERN CCC(CC)C(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000038090029 168334065 /nfs/dbraw/zinc/33/40/65/168334065.db2.gz DLHFGGKCDQDEGS-LLVKDONJSA-N 0 0 249.354 3.348 10 0 BGAERN CC/C=C(\C)C(=O)N(C)[C@@H](C)c1ccc(O)cc1 ZINC000038090100 167830026 /nfs/dbraw/zinc/83/00/26/167830026.db2.gz DDRXUVSPKVGQCE-BCMYLCSRSA-N 0 0 247.338 3.268 10 0 BGAERN CC/C=C(\C)C(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000038090101 167830743 /nfs/dbraw/zinc/83/07/43/167830743.db2.gz DDRXUVSPKVGQCE-IGEMTJHASA-N 0 0 247.338 3.268 10 0 BGAERN C/C=C/C=C/C(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000038090127 188116805 /nfs/dbraw/zinc/11/68/05/188116805.db2.gz AGWNBRIFOBBESW-RKOMOGNESA-N 0 0 245.322 3.044 10 0 BGAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)CC(C)(C)C ZINC000038090136 176015496 /nfs/dbraw/zinc/01/54/96/176015496.db2.gz NONIEKCSABUJJL-NSHDSACASA-N 0 0 249.354 3.348 10 0 BGAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)CC(C)(C)C ZINC000038090137 177035787 /nfs/dbraw/zinc/03/57/87/177035787.db2.gz NONIEKCSABUJJL-LLVKDONJSA-N 0 0 249.354 3.348 10 0 BGAERN CCC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(O)cc1 ZINC000038090206 169347765 /nfs/dbraw/zinc/34/77/65/169347765.db2.gz SLBMVALCXCTQIX-NEPJUHHUSA-N 0 0 249.354 3.348 10 0 BGAERN CCC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000038090208 169347556 /nfs/dbraw/zinc/34/75/56/169347556.db2.gz SLBMVALCXCTQIX-VXGBXAGGSA-N 0 0 249.354 3.348 10 0 BGAERN Cc1csc(CN[C@@H](C)c2ccc(O)cc2)n1 ZINC000038090738 187262522 /nfs/dbraw/zinc/26/25/22/187262522.db2.gz ZXLOXIWAHHWHBW-JTQLQIEISA-N 0 0 248.351 3.008 10 0 BGAERN Cc1csc(CN[C@@H](C)c2cccs2)n1 ZINC000038090768 188282778 /nfs/dbraw/zinc/28/27/78/188282778.db2.gz RGYIMMQBTNCZLI-VIFPVBQESA-N 0 0 238.381 3.364 10 0 BGAERN Cc1csc(CN[C@H](C)c2cccs2)n1 ZINC000038090769 343059646 /nfs/dbraw/zinc/05/96/46/343059646.db2.gz RGYIMMQBTNCZLI-SECBINFHSA-N 0 0 238.381 3.364 10 0 BGAERN Cc1csc(N[C@@H](C)Cc2ccco2)n1 ZINC000038093231 179788587 /nfs/dbraw/zinc/78/85/87/179788587.db2.gz FFKLATVRXLGMGZ-QMMMGPOBSA-N 0 0 222.313 3.088 10 0 BGAERN Cc1ccc([C@@H](C)NCc2nc(C)c(C)o2)o1 ZINC000038097559 384070945 /nfs/dbraw/zinc/07/09/45/384070945.db2.gz QFNBMMDGIDGNKM-SNVBAGLBSA-N 0 0 234.299 3.044 10 0 BGAERN Cc1ccc([C@H](C)NCc2nc(C)c(C)o2)o1 ZINC000038097560 384069508 /nfs/dbraw/zinc/06/95/08/384069508.db2.gz QFNBMMDGIDGNKM-JTQLQIEISA-N 0 0 234.299 3.044 10 0 BGAERN Cc1ccc([C@H](C)Nc2cccc(C)n2)o1 ZINC000038097851 179152932 /nfs/dbraw/zinc/15/29/32/179152932.db2.gz PFWHSONATAGPGS-NSHDSACASA-N 0 0 216.284 3.465 10 0 BGAERN Cc1ccc([C@@H](C)Nc2cccc(C)n2)o1 ZINC000038097852 179156625 /nfs/dbraw/zinc/15/66/25/179156625.db2.gz PFWHSONATAGPGS-LLVKDONJSA-N 0 0 216.284 3.465 10 0 BGAERN Cc1ccccc1N[C@@H](CO)c1ccsc1 ZINC000038113141 179307430 /nfs/dbraw/zinc/30/74/30/179307430.db2.gz YKDKPPOVWFYLEJ-ZDUSSCGKSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1ccccc1N[C@H](CO)c1ccsc1 ZINC000038113142 179307401 /nfs/dbraw/zinc/30/74/01/179307401.db2.gz YKDKPPOVWFYLEJ-CYBMUJFWSA-N 0 0 233.336 3.202 10 0 BGAERN OC[C@H](Nc1ccc(F)cc1)c1ccsc1 ZINC000038114134 183142452 /nfs/dbraw/zinc/14/24/52/183142452.db2.gz UVRQOLVKEZYXRZ-LBPRGKRZSA-N 0 0 237.299 3.033 10 0 BGAERN OC[C@@H](Nc1ccc(F)cc1)c1ccsc1 ZINC000038114135 183109587 /nfs/dbraw/zinc/10/95/87/183109587.db2.gz UVRQOLVKEZYXRZ-GFCCVEGCSA-N 0 0 237.299 3.033 10 0 BGAERN Cc1cccc(N[C@@H](CO)c2ccsc2)c1 ZINC000038115266 179155443 /nfs/dbraw/zinc/15/54/43/179155443.db2.gz PZUHRZGEIWROOC-ZDUSSCGKSA-N 0 0 233.336 3.202 10 0 BGAERN Cc1cccc(N[C@H](CO)c2ccsc2)c1 ZINC000038115267 179157916 /nfs/dbraw/zinc/15/79/16/179157916.db2.gz PZUHRZGEIWROOC-CYBMUJFWSA-N 0 0 233.336 3.202 10 0 BGAERN OC[C@H](Nc1cccc(F)c1)c1ccsc1 ZINC000038119208 183143249 /nfs/dbraw/zinc/14/32/49/183143249.db2.gz LIIDLNGIYRDJDX-LBPRGKRZSA-N 0 0 237.299 3.033 10 0 BGAERN OC[C@@H](Nc1cccc(F)c1)c1ccsc1 ZINC000038119209 183109484 /nfs/dbraw/zinc/10/94/84/183109484.db2.gz LIIDLNGIYRDJDX-GFCCVEGCSA-N 0 0 237.299 3.033 10 0 BGAERN OC[C@H](Nc1ccccc1F)c1ccsc1 ZINC000038119874 183142332 /nfs/dbraw/zinc/14/23/32/183142332.db2.gz SMBUYBWXQNUMQW-LBPRGKRZSA-N 0 0 237.299 3.033 10 0 BGAERN OC[C@@H](Nc1ccccc1F)c1ccsc1 ZINC000038119875 183111836 /nfs/dbraw/zinc/11/18/36/183111836.db2.gz SMBUYBWXQNUMQW-GFCCVEGCSA-N 0 0 237.299 3.033 10 0 BGAERN Cc1occc1C(=O)Cc1ccsc1 ZINC000038125234 350307292 /nfs/dbraw/zinc/30/72/92/350307292.db2.gz JJRCYWBSOGDGCL-UHFFFAOYSA-N 0 0 206.266 3.075 10 0 BGAERN Cc1cc(C(=O)Cc2ccsc2)c(C)o1 ZINC000038125235 350307087 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/nfs/dbraw/zinc/42/76/46/187427646.db2.gz JIURXQALUTZYIQ-HNNXBMFYSA-N 0 0 228.291 3.085 10 0 BGAERN Cc1cccc2c3ccsc3c(=O)n(C)c12 ZINC000039111128 179224989 /nfs/dbraw/zinc/22/49/89/179224989.db2.gz UGIHRSQOUHDWQG-UHFFFAOYSA-N 0 0 229.304 3.062 10 0 BGAERN Cc1cccc(C)c1C1=CN2CCN=C2S1 ZINC000039111230 179032624 /nfs/dbraw/zinc/03/26/24/179032624.db2.gz SFYBHHBKAHFKRI-UHFFFAOYSA-N 0 0 230.336 3.020 10 0 BGAERN CCOCO[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000039111274 386146984 /nfs/dbraw/zinc/14/69/84/386146984.db2.gz UNLXQJFUEVOBIS-WDEREUQCSA-N 0 0 200.322 3.212 10 0 BGAERN CCOCO[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000039111275 170429751 /nfs/dbraw/zinc/42/97/51/170429751.db2.gz UNLXQJFUEVOBIS-QWRGUYRKSA-N 0 0 200.322 3.212 10 0 BGAERN CCOCO[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000039111276 386146581 /nfs/dbraw/zinc/14/65/81/386146581.db2.gz UNLXQJFUEVOBIS-GHMZBOCLSA-N 0 0 200.322 3.212 10 0 BGAERN CCOCO[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000039111277 386146463 /nfs/dbraw/zinc/14/64/63/386146463.db2.gz UNLXQJFUEVOBIS-MNOVXSKESA-N 0 0 200.322 3.212 10 0 BGAERN O=C(C[C@]12C[C@H]1CCC2)c1ccccc1 ZINC000039111294 182023520 /nfs/dbraw/zinc/02/35/20/182023520.db2.gz FPOKFQIIBFQYLJ-OCCSQVGLSA-N 0 0 200.281 3.450 10 0 BGAERN CC(C)(C)[C@H](O)c1cc(F)ccc1F ZINC000039115524 344886462 /nfs/dbraw/zinc/88/64/62/344886462.db2.gz XSVSDBCQMIHMKP-SNVBAGLBSA-N 0 0 200.228 3.044 10 0 BGAERN CC(C)(C)[C@@H](O)c1cc(F)ccc1F ZINC000039115525 187263584 /nfs/dbraw/zinc/26/35/84/187263584.db2.gz XSVSDBCQMIHMKP-JTQLQIEISA-N 0 0 200.228 3.044 10 0 BGAERN CCOC(=O)c1ccc(C(=O)[C@H](C)CC)cc1 ZINC000039117744 170295574 /nfs/dbraw/zinc/29/55/74/170295574.db2.gz UYKLBLGHVLRAOL-SNVBAGLBSA-N 0 0 234.295 3.092 10 0 BGAERN CCOC(=O)c1ccc(C(=O)[C@@H](C)CC)cc1 ZINC000039117746 170295525 /nfs/dbraw/zinc/29/55/25/170295525.db2.gz UYKLBLGHVLRAOL-JTQLQIEISA-N 0 0 234.295 3.092 10 0 BGAERN CCOC(=O)CCc1ccc(CC(C)C)cc1 ZINC000039117776 170211478 /nfs/dbraw/zinc/21/14/78/170211478.db2.gz HQCIUZLBNNCORC-UHFFFAOYSA-N 0 0 234.339 3.381 10 0 BGAERN CC[C@H](O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000039117834 343385447 /nfs/dbraw/zinc/38/54/47/343385447.db2.gz OQQYLOJNHKXRRZ-LBPRGKRZSA-N 0 0 236.311 3.085 10 0 BGAERN CC[C@@H](O)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000039117835 170938608 /nfs/dbraw/zinc/93/86/08/170938608.db2.gz OQQYLOJNHKXRRZ-GFCCVEGCSA-N 0 0 236.311 3.085 10 0 BGAERN Cc1cccc(C)c1CC(=O)C(C)(C)C ZINC000039118125 344887204 /nfs/dbraw/zinc/88/72/04/344887204.db2.gz DJLKLEOJTQQXDO-UHFFFAOYSA-N 0 0 204.313 3.461 10 0 BGAERN CC[C@@H](C)c1ccc(C(=O)OC)c(C)c1 ZINC000039118280 347179344 /nfs/dbraw/zinc/17/93/44/347179344.db2.gz RVPONEAVFPGYMU-SECBINFHSA-N 0 0 206.285 3.295 10 0 BGAERN CC[C@H](C)c1ccc(C(=O)OC)c(C)c1 ZINC000039118282 347179558 /nfs/dbraw/zinc/17/95/58/347179558.db2.gz RVPONEAVFPGYMU-VIFPVBQESA-N 0 0 206.285 3.295 10 0 BGAERN CC(C)Oc1cccc2c(N)cccc12 ZINC000039118768 358220986 /nfs/dbraw/zinc/22/09/86/358220986.db2.gz QUSWZEMIWZNEOB-UHFFFAOYSA-N 0 0 201.269 3.209 10 0 BGAERN Cc1c(N)c(-c2ccccc2)ccc1F ZINC000039118778 343385404 /nfs/dbraw/zinc/38/54/04/343385404.db2.gz RWQAMCPJMMRFLJ-UHFFFAOYSA-N 0 0 201.244 3.383 10 0 BGAERN Cc1cc(N)c(-c2ccccc2)c(F)c1 ZINC000039118793 178102114 /nfs/dbraw/zinc/10/21/14/178102114.db2.gz OENKPESHKVSZDZ-UHFFFAOYSA-N 0 0 201.244 3.383 10 0 BGAERN CCOC(=O)/C=C1\Sc2ccccc2N1CC ZINC000039119002 170183214 /nfs/dbraw/zinc/18/32/14/170183214.db2.gz VSWFXZOCQWHLEA-XFXZXTDPSA-N 0 0 249.335 3.023 10 0 BGAERN Nc1ccc2c(c1)NC1(CCCCC1)CC2 ZINC000039119051 358221124 /nfs/dbraw/zinc/22/11/24/358221124.db2.gz ZLBLWHFXAQLHLM-UHFFFAOYSA-N 0 0 216.328 3.330 10 0 BGAERN Oc1ccc(-c2ccccc2)c(O)c1Cl ZINC000039119064 183264775 /nfs/dbraw/zinc/26/47/75/183264775.db2.gz ZJHCPEUNGDLOOI-UHFFFAOYSA-N 0 0 220.655 3.418 10 0 BGAERN COc1cc(C)c(-c2ccccc2)c(O)c1 ZINC000039119072 343385281 /nfs/dbraw/zinc/38/52/81/343385281.db2.gz YCWSZJSHUBYJFQ-UHFFFAOYSA-N 0 0 214.264 3.376 10 0 BGAERN Cc1c(O)cc(-c2ccccc2)cc1O ZINC000039119080 343385408 /nfs/dbraw/zinc/38/54/08/343385408.db2.gz OSSRRAHCMATAPN-UHFFFAOYSA-N 0 0 200.237 3.073 10 0 BGAERN CCOc1cc(O)c(-c2ccccc2)cc1O ZINC000039119082 343385446 /nfs/dbraw/zinc/38/54/46/343385446.db2.gz RKKBQMYKXJNBIK-UHFFFAOYSA-N 0 0 230.263 3.164 10 0 BGAERN COc1cc(O)c(-c2ccccc2)c(OC)c1 ZINC000039119118 188473963 /nfs/dbraw/zinc/47/39/63/188473963.db2.gz IUWGNBUYIRCEGC-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 BGAERN Oc1cc(O)c(-c2ccccc2)cc1Cl ZINC000039119122 188290519 /nfs/dbraw/zinc/29/05/19/188290519.db2.gz VWSWELJZGSVFKL-UHFFFAOYSA-N 0 0 220.655 3.418 10 0 BGAERN COc1cc(OC)c(-c2ccccc2)cc1O ZINC000039119128 175006693 /nfs/dbraw/zinc/00/66/93/175006693.db2.gz CRFNBCAQUPLXPG-UHFFFAOYSA-N 0 0 230.263 3.076 10 0 BGAERN CC1(C)C[C@](C)(O)C[C@@](C)(O)[C@@H]1c1ccccc1 ZINC000039119139 527767636 /nfs/dbraw/zinc/76/76/36/527767636.db2.gz RVIKBFXAXKNSMW-VNQPRFMTSA-N 0 0 248.366 3.092 10 0 BGAERN CC1(C)C[C@](C)(O)C[C@](C)(O)[C@@H]1c1ccccc1 ZINC000039119143 188290855 /nfs/dbraw/zinc/29/08/55/188290855.db2.gz RVIKBFXAXKNSMW-KBMXLJTQSA-N 0 0 248.366 3.092 10 0 BGAERN Oc1cc(-c2ccccc2)c(O)cc1Cl ZINC000039119151 183254584 /nfs/dbraw/zinc/25/45/84/183254584.db2.gz SIPINJGBITULQM-UHFFFAOYSA-N 0 0 220.655 3.418 10 0 BGAERN Oc1cc(Cl)c(O)c(-c2ccccc2)c1 ZINC000039119153 183256583 /nfs/dbraw/zinc/25/65/83/183256583.db2.gz QPFACSRZLHHTIX-UHFFFAOYSA-N 0 0 220.655 3.418 10 0 BGAERN COc1cc(OC)c(-c2ccccc2)c(OC)c1 ZINC000039119157 175006665 /nfs/dbraw/zinc/00/66/65/175006665.db2.gz KDNOIIRLMOZZBO-UHFFFAOYSA-N 0 0 244.290 3.379 10 0 BGAERN CCC1(CC)C=CC(O)(O)C(c2ccccc2)=C1 ZINC000039119159 384106997 /nfs/dbraw/zinc/10/69/97/384106997.db2.gz IZSHUIARVQNXNL-UHFFFAOYSA-N 0 0 244.334 3.127 10 0 BGAERN COC1=C[C@@](C)(OC)CC=C1c1ccccc1 ZINC000039119170 174014778 /nfs/dbraw/zinc/01/47/78/174014778.db2.gz YWPWVWRUZKPUEO-HNNXBMFYSA-N 0 0 230.307 3.409 10 0 BGAERN COC1=C[C@](C)(OC)CC=C1c1ccccc1 ZINC000039119172 174013976 /nfs/dbraw/zinc/01/39/76/174013976.db2.gz YWPWVWRUZKPUEO-OAHLLOKOSA-N 0 0 230.307 3.409 10 0 BGAERN COc1cc(C)cc(-c2ccccc2)c1O ZINC000039119174 343385477 /nfs/dbraw/zinc/38/54/77/343385477.db2.gz SEVCHKPZOWJMSH-UHFFFAOYSA-N 0 0 214.264 3.376 10 0 BGAERN COC1(OC)CC=C(C)C=C1c1ccccc1 ZINC000039119176 174008782 /nfs/dbraw/zinc/00/87/82/174008782.db2.gz ZVSMQUDNUQHLPO-UHFFFAOYSA-N 0 0 230.307 3.409 10 0 BGAERN CO[C@]1(O)C=CC(C)(C)C=C1c1ccccc1 ZINC000039119193 343385428 /nfs/dbraw/zinc/38/54/28/343385428.db2.gz WYNKIXOCKVQODU-OAHLLOKOSA-N 0 0 230.307 3.001 10 0 BGAERN CO[C@@]1(O)C=CC(C)(C)C=C1c1ccccc1 ZINC000039119196 174797114 /nfs/dbraw/zinc/79/71/14/174797114.db2.gz WYNKIXOCKVQODU-HNNXBMFYSA-N 0 0 230.307 3.001 10 0 BGAERN N#CNc1cc(C(F)(F)F)ccc1Cl ZINC000039119478 358221391 /nfs/dbraw/zinc/22/13/91/358221391.db2.gz MLPMLUYPZZEGPJ-UHFFFAOYSA-N 0 0 220.581 3.252 10 0 BGAERN Nc1c2ccccc2oc1-c1ccccc1O ZINC000039119558 181666557 /nfs/dbraw/zinc/66/65/57/181666557.db2.gz RZOWNCJJDZAHAG-UHFFFAOYSA-N 0 0 225.247 3.388 10 0 BGAERN Nc1ccc2occ(-c3ccccc3)c(=O)c2c1 ZINC000039119561 343385439 /nfs/dbraw/zinc/38/54/39/343385439.db2.gz IXQJGKWZIZEDAP-UHFFFAOYSA-N 0 0 237.258 3.042 10 0 BGAERN O=Cc1c[nH]c(-c2cccc3ccccc32)n1 ZINC000039119608 358221310 /nfs/dbraw/zinc/22/13/10/358221310.db2.gz CEHYVTNHKAZRAG-UHFFFAOYSA-N 0 0 222.247 3.042 10 0 BGAERN CCCOc1cc2cnccc2cc1OC ZINC000039119752 169315827 /nfs/dbraw/zinc/31/58/27/169315827.db2.gz BTHCIRNMPYILEV-UHFFFAOYSA-N 0 0 217.268 3.032 10 0 BGAERN CCCOc1cc2ccncc2cc1OC ZINC000039119753 169315690 /nfs/dbraw/zinc/31/56/90/169315690.db2.gz OVUHZAWDUXSXGT-UHFFFAOYSA-N 0 0 217.268 3.032 10 0 BGAERN C[C@@H]1OCc2cc(-c3cccnc3)ccc2O1 ZINC000039120018 384106365 /nfs/dbraw/zinc/10/63/65/384106365.db2.gz QFKWIAMPUVTDSR-SNVBAGLBSA-N 0 0 227.263 3.004 10 0 BGAERN C[C@H]1OCc2cc(-c3cccnc3)ccc2O1 ZINC000039120020 384106954 /nfs/dbraw/zinc/10/69/54/384106954.db2.gz QFKWIAMPUVTDSR-JTQLQIEISA-N 0 0 227.263 3.004 10 0 BGAERN C[C@@H]1OCc2cc(-c3ccncc3)ccc2O1 ZINC000039120022 176484217 /nfs/dbraw/zinc/48/42/17/176484217.db2.gz WFSDKXJHAMJFAN-SNVBAGLBSA-N 0 0 227.263 3.004 10 0 BGAERN C[C@H]1OCc2cc(-c3ccncc3)ccc2O1 ZINC000039120024 384105928 /nfs/dbraw/zinc/10/59/28/384105928.db2.gz WFSDKXJHAMJFAN-JTQLQIEISA-N 0 0 227.263 3.004 10 0 BGAERN Cc1ccccc1C1Oc2ccccc2O1 ZINC000039120078 179256455 /nfs/dbraw/zinc/25/64/55/179256455.db2.gz BILFFEXLFUHVHA-UHFFFAOYSA-N 0 0 212.248 3.465 10 0 BGAERN Oc1ccc2c(c1)C[C@@H](c1ccccc1)CO2 ZINC000039120086 183280465 /nfs/dbraw/zinc/28/04/65/183280465.db2.gz QLVLWWQJYGXPQE-CYBMUJFWSA-N 0 0 226.275 3.111 10 0 BGAERN Oc1ccc2c(c1)C[C@H](c1ccccc1)CO2 ZINC000039120088 183280527 /nfs/dbraw/zinc/28/05/27/183280527.db2.gz QLVLWWQJYGXPQE-ZDUSSCGKSA-N 0 0 226.275 3.111 10 0 BGAERN Oc1ccc2c(c1)OC[C@H](c1ccccc1)C2 ZINC000039120094 183282100 /nfs/dbraw/zinc/28/21/00/183282100.db2.gz LKMWTIGVJAWQHQ-CYBMUJFWSA-N 0 0 226.275 3.111 10 0 BGAERN Oc1ccc2c(c1)OC[C@@H](c1ccccc1)C2 ZINC000039120096 183280993 /nfs/dbraw/zinc/28/09/93/183280993.db2.gz LKMWTIGVJAWQHQ-ZDUSSCGKSA-N 0 0 226.275 3.111 10 0 BGAERN Cc1ccc(C2Oc3ccccc3O2)cc1 ZINC000039120108 188464231 /nfs/dbraw/zinc/46/42/31/188464231.db2.gz SPVSTKYRWICWKP-UHFFFAOYSA-N 0 0 212.248 3.465 10 0 BGAERN Oc1cccc2c1CO[C@H](c1ccccc1)C2 ZINC000039120110 183297007 /nfs/dbraw/zinc/29/70/07/183297007.db2.gz ICWACZSGKVCRBE-HNNXBMFYSA-N 0 0 226.275 3.206 10 0 BGAERN Oc1cccc2c1CO[C@@H](c1ccccc1)C2 ZINC000039120112 183296611 /nfs/dbraw/zinc/29/66/11/183296611.db2.gz ICWACZSGKVCRBE-OAHLLOKOSA-N 0 0 226.275 3.206 10 0 BGAERN Nc1ccc([C@H]2CCc3ccccc3O2)cc1 ZINC000039120118 343385682 /nfs/dbraw/zinc/38/56/82/343385682.db2.gz PIHTZXJLJILBIQ-OAHLLOKOSA-N 0 0 225.291 3.335 10 0 BGAERN Nc1ccc([C@@H]2CCc3ccccc3O2)cc1 ZINC000039120120 181726006 /nfs/dbraw/zinc/72/60/06/181726006.db2.gz PIHTZXJLJILBIQ-HNNXBMFYSA-N 0 0 225.291 3.335 10 0 BGAERN Oc1ccccc1[C@H]1CCc2ccccc2O1 ZINC000039120126 343385958 /nfs/dbraw/zinc/38/59/58/343385958.db2.gz KROHAAWTBFRVMS-OAHLLOKOSA-N 0 0 226.275 3.459 10 0 BGAERN Oc1ccccc1[C@@H]1CCc2ccccc2O1 ZINC000039120128 188290803 /nfs/dbraw/zinc/29/08/03/188290803.db2.gz KROHAAWTBFRVMS-HNNXBMFYSA-N 0 0 226.275 3.459 10 0 BGAERN CCOC(=O)/C=C/C1=CCCc2ccccc21 ZINC000039120228 347179336 /nfs/dbraw/zinc/17/93/36/347179336.db2.gz JBJJEAIQQBHPDV-ZHACJKMWSA-N 0 0 228.291 3.136 10 0 BGAERN CCOC(=O)CC1=Cc2ccc(C)cc2CC1 ZINC000039120459 347179508 /nfs/dbraw/zinc/17/95/08/347179508.db2.gz DTHLOQFFSAMPQS-UHFFFAOYSA-N 0 0 230.307 3.278 10 0 BGAERN Nc1cc2c(cc1OC1CCCCC1)CCC2 ZINC000039120593 347179640 /nfs/dbraw/zinc/17/96/40/347179640.db2.gz FIDKXJXIHGPVDJ-UHFFFAOYSA-N 0 0 231.339 3.469 10 0 BGAERN Clc1ccc2ccc(C3OCCCO3)cc2n1 ZINC000039120868 343385952 /nfs/dbraw/zinc/38/59/52/343385952.db2.gz IXKAYYYZWIWWIU-UHFFFAOYSA-N 0 0 249.697 3.324 10 0 BGAERN CSCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000039120873 384107081 /nfs/dbraw/zinc/10/70/81/384107081.db2.gz JZJVYPCVACCIFG-UHFFFAOYSA-N 0 0 234.242 3.251 10 0 BGAERN CCc1ccc(-c2cnc(CC)nc2)cc1 ZINC000039121258 343385852 /nfs/dbraw/zinc/38/58/52/343385852.db2.gz WAARGPIPDRXHBJ-UHFFFAOYSA-N 0 0 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347182196 /nfs/dbraw/zinc/18/21/96/347182196.db2.gz JQFIFBVEYMQOFY-AAEUAGOBSA-N 0 0 230.307 3.265 10 0 BGAERN C[C@@H]1CCC(=O)[C@@H](CC(=O)c2ccccc2)C1 ZINC000039194478 347182029 /nfs/dbraw/zinc/18/20/29/347182029.db2.gz JQFIFBVEYMQOFY-DGCLKSJQSA-N 0 0 230.307 3.265 10 0 BGAERN C[C@H]1CCC(=O)[C@@H](CC(=O)c2ccccc2)C1 ZINC000039194480 347182106 /nfs/dbraw/zinc/18/21/06/347182106.db2.gz JQFIFBVEYMQOFY-WCQYABFASA-N 0 0 230.307 3.265 10 0 BGAERN CCn1c2ccccc2c2c1CCCC2=O ZINC000039194625 384108879 /nfs/dbraw/zinc/10/88/79/384108879.db2.gz GZSUIHUAFPHZSU-UHFFFAOYSA-N 0 0 213.280 3.180 10 0 BGAERN OCCc1c[nH]c2c1c(Cl)ccc2Cl ZINC000039198722 183100099 /nfs/dbraw/zinc/10/00/99/183100099.db2.gz PZYSWOWQOFESBE-UHFFFAOYSA-N 0 0 230.094 3.010 10 0 BGAERN CC(C)(C)c1ccc2c(n1)[C@H](C(N)=S)CCC2 ZINC000039200187 358219511 /nfs/dbraw/zinc/21/95/11/358219511.db2.gz VGVJPUVJZCJEAO-SNVBAGLBSA-N 0 0 248.395 3.085 10 0 BGAERN CC(C)(C)c1ccc2c(n1)[C@@H](C(N)=S)CCC2 ZINC000039200188 387488934 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CC(C)(C)c1cccc(Br)c1O ZINC000039208513 384109227 /nfs/dbraw/zinc/10/92/27/384109227.db2.gz AXYXIQJROSLHJZ-UHFFFAOYSA-N 0 0 229.117 3.452 10 0 BGAERN O=Cc1oc2ccccc2c1Br ZINC000039208873 387574773 /nfs/dbraw/zinc/57/47/73/387574773.db2.gz XJHLNJBEPAUFOD-UHFFFAOYSA-N 0 0 225.041 3.008 10 0 BGAERN Clc1ccc(-c2onc3c2CCC3)cc1 ZINC000039209112 343387445 /nfs/dbraw/zinc/38/74/45/343387445.db2.gz XLMVGMKEWQHWLE-UHFFFAOYSA-N 0 0 219.671 3.484 10 0 BGAERN Brc1ccc2c(c1)CCS2 ZINC000039209526 166099499 /nfs/dbraw/zinc/09/94/99/166099499.db2.gz HFGPNLPQFASBDW-UHFFFAOYSA-N 0 0 215.115 3.097 10 0 BGAERN c1ccc(-c2ccc3cnccc3n2)cc1 ZINC000039209661 183379754 /nfs/dbraw/zinc/37/97/54/183379754.db2.gz KHSHHAGTIYQWDF-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 BGAERN CCC[C@H](C(=O)OC)c1ccccc1Cl ZINC000039209801 346240314 /nfs/dbraw/zinc/24/03/14/346240314.db2.gz KYRBGRXRFLXSIY-JTQLQIEISA-N 0 0 226.703 3.397 10 0 BGAERN CCC[C@@H](C(=O)OC)c1ccccc1Cl ZINC000039209802 346240351 /nfs/dbraw/zinc/24/03/51/346240351.db2.gz 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FC(F)(F)Oc1coc2ccccc12 ZINC000039216355 372908802 /nfs/dbraw/zinc/90/88/02/372908802.db2.gz YJTOJFUNJVWDGF-UHFFFAOYSA-N 0 0 202.131 3.331 10 0 BGAERN O=Cc1ncccc1-c1ccccc1Cl ZINC000039216757 384110886 /nfs/dbraw/zinc/11/08/86/384110886.db2.gz XHYSYROFZLZYMN-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN O=Cc1cccc(-c2ccccc2Cl)n1 ZINC000039216758 384110286 /nfs/dbraw/zinc/11/02/86/384110286.db2.gz LSZKBPRWWCRMTO-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN Clc1ccc(-c2ncc[nH]2)cc1Cl ZINC000039220238 343387251 /nfs/dbraw/zinc/38/72/51/343387251.db2.gz KYJUUIWHGMPQDN-UHFFFAOYSA-N 0 0 213.067 3.384 10 0 BGAERN Cc1ccc2c(c1)CCc1ccccc1C2=O ZINC000039220548 347185957 /nfs/dbraw/zinc/18/59/57/347185957.db2.gz DWXOFJILZCSGJI-UHFFFAOYSA-N 0 0 222.287 3.325 10 0 BGAERN CCCC[C@H](C(=O)OC)c1ccccc1 ZINC000039220575 346279673 /nfs/dbraw/zinc/27/96/73/346279673.db2.gz KJNPTACRYFNXGW-LBPRGKRZSA-N 0 0 206.285 3.133 10 0 BGAERN CCCC[C@@H](C(=O)OC)c1ccccc1 ZINC000039220576 346279460 /nfs/dbraw/zinc/27/94/60/346279460.db2.gz KJNPTACRYFNXGW-GFCCVEGCSA-N 0 0 206.285 3.133 10 0 BGAERN Brc1cc2ncsc2s1 ZINC000039224065 166095681 /nfs/dbraw/zinc/09/56/81/166095681.db2.gz ZUUGBGFKDXZTNU-UHFFFAOYSA-N 0 0 220.116 3.120 10 0 BGAERN COc1ccc2ccncc2c1Br ZINC000039225135 175227097 /nfs/dbraw/zinc/22/70/97/175227097.db2.gz UQRCCDNGYVDNCR-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN Nc1c(Cl)cccc1C(=O)c1ccccc1 ZINC000039225405 343387299 /nfs/dbraw/zinc/38/72/99/343387299.db2.gz JCPSDGBPFXACKB-UHFFFAOYSA-N 0 0 231.682 3.153 10 0 BGAERN Nc1cccc(Cl)c1C(=O)c1ccccc1 ZINC000039225406 181744512 /nfs/dbraw/zinc/74/45/12/181744512.db2.gz IQHIGDFLXBHMCV-UHFFFAOYSA-N 0 0 231.682 3.153 10 0 BGAERN Fc1cccc(F)c1-c1nc2cccnc2o1 ZINC000039233196 181000203 /nfs/dbraw/zinc/00/02/03/181000203.db2.gz SNMQGSXQKPDKJZ-UHFFFAOYSA-N 0 0 232.189 3.168 10 0 BGAERN COc1ccc(CC2CCC(CO)CC2)cc1 ZINC000039233479 347187369 /nfs/dbraw/zinc/18/73/69/347187369.db2.gz LXVDJGVRFDDWBO-UHFFFAOYSA-N 0 0 234.339 3.036 10 0 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343388184 /nfs/dbraw/zinc/38/81/84/343388184.db2.gz SZIVOSQYCAPLTH-UHFFFAOYSA-N 0 0 206.676 3.407 10 0 BGAERN CSc1ccc(C)nc1NC(=O)C(C)(C)C ZINC000039286911 398045409 /nfs/dbraw/zinc/04/54/09/398045409.db2.gz KCVUZIQTUIGABE-UHFFFAOYSA-N 0 0 238.356 3.097 10 0 BGAERN COC(=O)c1cccc(C)c1NCCC(C)C ZINC000039287954 372931778 /nfs/dbraw/zinc/93/17/78/372931778.db2.gz FDHVIDHVVIQMDT-UHFFFAOYSA-N 0 0 235.327 3.240 10 0 BGAERN CCCCCNc1c(C)cccc1C(=O)OC ZINC000039287955 372932512 /nfs/dbraw/zinc/93/25/12/372932512.db2.gz JOASQYBVNQDZGH-UHFFFAOYSA-N 0 0 235.327 3.384 10 0 BGAERN COC(=O)c1cccc(Cl)c1NCC(C)C ZINC000039288223 372931718 /nfs/dbraw/zinc/93/17/18/372931718.db2.gz SRQRZQIFAHFBBY-UHFFFAOYSA-N 0 0 241.718 3.195 10 0 BGAERN CCCCNc1c(Cl)cccc1C(=O)OC ZINC000039288224 372932524 /nfs/dbraw/zinc/93/25/24/372932524.db2.gz HMKLUGKHMSBIOQ-UHFFFAOYSA-N 0 0 241.718 3.339 10 0 BGAERN O[C@H]1Cc2ccccc2Sc2ccccc21 ZINC000039291685 347188429 /nfs/dbraw/zinc/18/84/29/347188429.db2.gz XLQKDTQNKRVMGD-LBPRGKRZSA-N 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/nfs/dbraw/zinc/18/92/10/347189210.db2.gz UACFBKPJXPLDFP-UHFFFAOYSA-N 0 0 203.285 3.176 10 0 BGAERN Cn1nc(-c2ccccc2)c2ccccc21 ZINC000039318214 180799694 /nfs/dbraw/zinc/79/96/94/180799694.db2.gz NMTKWOAHZFDTOB-UHFFFAOYSA-N 0 0 208.264 3.240 10 0 BGAERN CCCCC[C@H](O)c1cccc(OC)c1 ZINC000039318831 358222251 /nfs/dbraw/zinc/22/22/51/358222251.db2.gz DTARCMJUCAQRIU-ZDUSSCGKSA-N 0 0 208.301 3.309 10 0 BGAERN CCCCC[C@@H](O)c1cccc(OC)c1 ZINC000039318832 343123931 /nfs/dbraw/zinc/12/39/31/343123931.db2.gz DTARCMJUCAQRIU-CYBMUJFWSA-N 0 0 208.301 3.309 10 0 BGAERN CC(=O)c1oc2cc(C)c(Cl)cc2c1N ZINC000039320118 166491649 /nfs/dbraw/zinc/49/16/49/166491649.db2.gz PNXBNAGFSAQBFN-UHFFFAOYSA-N 0 0 223.659 3.179 10 0 BGAERN Oc1ccccc1[C@H]1CCc2ccccc21 ZINC000039320778 187263338 /nfs/dbraw/zinc/26/33/38/187263338.db2.gz GVVCHNSUYOUVDV-ZDUSSCGKSA-N 0 0 210.276 3.470 10 0 BGAERN Oc1ccccc1[C@@H]1CCc2ccccc21 ZINC000039320780 343389080 /nfs/dbraw/zinc/38/90/80/343389080.db2.gz GVVCHNSUYOUVDV-CYBMUJFWSA-N 0 0 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/nfs/dbraw/zinc/47/35/75/188473575.db2.gz QYIWHAVKPNVBAN-UHFFFAOYSA-N 0 0 233.080 3.188 10 0 BGAERN CC(C)c1cc2c(nc[nH]c2=O)c(C(C)C)c1 ZINC000039329286 358222082 /nfs/dbraw/zinc/22/20/82/358222082.db2.gz HBVZENZHHVYIOS-UHFFFAOYSA-N 0 0 230.311 3.170 10 0 BGAERN COC(=O)C[C@H](C)c1ccc(Cl)cc1 ZINC000039332470 372945557 /nfs/dbraw/zinc/94/55/57/372945557.db2.gz FFALEYDWSBKJHW-QMMMGPOBSA-N 0 0 212.676 3.007 10 0 BGAERN COc1ccc(C2CC2)cc1Br ZINC000039332471 175084980 /nfs/dbraw/zinc/08/49/80/175084980.db2.gz QOBPGHCFMGLFOK-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN S=c1c2ccccc2[nH]n1Cc1ccccc1 ZINC000039332539 188292144 /nfs/dbraw/zinc/29/21/44/188292144.db2.gz AQESBDUQLINSJM-UHFFFAOYSA-N 0 0 240.331 3.373 10 0 BGAERN C[C@@H]1CCc2c(Br)c(F)ccc2N1 ZINC000039333398 176239696 /nfs/dbraw/zinc/23/96/96/176239696.db2.gz XHAXMUHHFPDPDH-ZCFIWIBFSA-N 0 0 244.107 3.335 10 0 BGAERN C[C@H]1CCc2c(Br)c(F)ccc2N1 ZINC000039333399 177209125 /nfs/dbraw/zinc/20/91/25/177209125.db2.gz XHAXMUHHFPDPDH-LURJTMIESA-N 0 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/nfs/dbraw/zinc/11/17/55/384111755.db2.gz XGCSWVNSEVFLRA-UHFFFAOYSA-N 0 0 240.022 3.171 10 0 BGAERN C=C(c1ccc(F)cc1)P(=O)(OC)OC ZINC000039342827 347190152 /nfs/dbraw/zinc/19/01/52/347190152.db2.gz RLPONAJATLDTKW-UHFFFAOYSA-N 0 0 230.175 3.282 10 0 BGAERN COc1ccc(N)c(Nc2ccccc2)c1 ZINC000039342865 175137227 /nfs/dbraw/zinc/13/72/27/175137227.db2.gz OSQHCWNKZXXLLZ-UHFFFAOYSA-N 0 0 214.268 3.021 10 0 BGAERN O=C1CCCC[C@@H]1CCOCc1ccccc1 ZINC000039345842 347189886 /nfs/dbraw/zinc/18/98/86/347189886.db2.gz AVYVLJQIDISUDB-CQSZACIVSA-N 0 0 232.323 3.353 10 0 BGAERN O=C1CCN=C(c2ccccc2)c2ccccc21 ZINC000039347375 347189976 /nfs/dbraw/zinc/18/99/76/347189976.db2.gz VYZLHNQFKQTCNT-UHFFFAOYSA-N 0 0 235.286 3.110 10 0 BGAERN c1ccc(Cc2nc(-c3ccccc3)n[nH]2)cc1 ZINC000039347464 358222597 /nfs/dbraw/zinc/22/25/97/358222597.db2.gz VELJKZCOFOESAQ-UHFFFAOYSA-N 0 0 235.290 3.063 10 0 BGAERN COc1cccc(-c2ccccc2)c1OC ZINC000039347479 347190034 /nfs/dbraw/zinc/19/00/34/347190034.db2.gz CAWYBEAKUURXCV-UHFFFAOYSA-N 0 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347190795 /nfs/dbraw/zinc/19/07/95/347190795.db2.gz XGKNNAXXZYLYDX-CQSZACIVSA-N 0 0 212.229 3.037 10 0 BGAERN CC(C)(Br)C(=O)c1ccc(F)cc1 ZINC000039398517 372962962 /nfs/dbraw/zinc/96/29/62/372962962.db2.gz ZISFVSBQBJYRDB-UHFFFAOYSA-N 0 0 245.091 3.182 10 0 BGAERN OCc1ccc2ccccc2c1Br ZINC000039398522 350337349 /nfs/dbraw/zinc/33/73/49/350337349.db2.gz AOMOMZHKVMHEAM-UHFFFAOYSA-N 0 0 237.096 3.095 10 0 BGAERN O=C(Nc1ccccc1)n1cnc2ccccc21 ZINC000039401470 182378438 /nfs/dbraw/zinc/37/84/38/182378438.db2.gz APKKAHUAOVXXMX-UHFFFAOYSA-N 0 0 237.262 3.117 10 0 BGAERN Cc1cccc(C(=O)[C@@H](O)c2cccc(C)c2)c1 ZINC000039406398 368330334 /nfs/dbraw/zinc/33/03/34/368330334.db2.gz BXSJLLLBDMWLJU-HNNXBMFYSA-N 0 0 240.302 3.220 10 0 BGAERN CC(C)(C)C(=O)c1nc2ccccc2o1 ZINC000039409406 358226344 /nfs/dbraw/zinc/22/63/44/358226344.db2.gz SNOLWRKKMWALBR-UHFFFAOYSA-N 0 0 203.241 3.057 10 0 BGAERN O[C@@H]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000039410475 347190851 /nfs/dbraw/zinc/19/08/51/347190851.db2.gz AITFAOBZJSOBCD-HZPDHXFCSA-N 0 0 224.303 3.126 10 0 BGAERN CC[C@H]1Sc2cc(Cl)ccc2NC1=O ZINC000039411072 372967343 /nfs/dbraw/zinc/96/73/43/372967343.db2.gz MKJNRKNUJQAFPD-MRVPVSSYSA-N 0 0 227.716 3.163 10 0 BGAERN CC[C@@H]1Sc2cc(Cl)ccc2NC1=O ZINC000039411073 372967651 /nfs/dbraw/zinc/96/76/51/372967651.db2.gz MKJNRKNUJQAFPD-QMMMGPOBSA-N 0 0 227.716 3.163 10 0 BGAERN Clc1ccc(NCc2c[nH]cn2)cc1Cl ZINC000039415351 358226279 /nfs/dbraw/zinc/22/62/79/358226279.db2.gz XEGZBQZLHMSZNA-UHFFFAOYSA-N 0 0 242.109 3.329 10 0 BGAERN Oc1ccc(CCOC2CCCCC2)cc1 ZINC000039416943 368330281 /nfs/dbraw/zinc/33/02/81/368330281.db2.gz UQWCVPPINKUCDM-UHFFFAOYSA-N 0 0 220.312 3.284 10 0 BGAERN C[C@H](O)n1c2ccccc2c2ccccc21 ZINC000039419313 368330718 /nfs/dbraw/zinc/33/07/18/368330718.db2.gz BQLOILPELMKJRX-JTQLQIEISA-N 0 0 211.264 3.305 10 0 BGAERN C[C@@H](O)n1c2ccccc2c2ccccc21 ZINC000039419314 368330385 /nfs/dbraw/zinc/33/03/85/368330385.db2.gz BQLOILPELMKJRX-SNVBAGLBSA-N 0 0 211.264 3.305 10 0 BGAERN 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/nfs/dbraw/zinc/18/70/53/183187053.db2.gz LBQUJQXLIGQMSX-INIZCTEOSA-N 0 0 235.286 3.317 10 0 BGAERN Cc1nc(Cl)ccc1-c1ccncc1 ZINC000039474432 179989985 /nfs/dbraw/zinc/98/99/85/179989985.db2.gz WUKXAMSZRMFLMN-UHFFFAOYSA-N 0 0 204.660 3.105 10 0 BGAERN Cc1coc2c1c1oc(=O)ccc1c(C)c2C ZINC000039477210 368330567 /nfs/dbraw/zinc/33/05/67/368330567.db2.gz DFCGHTUCNODIIG-UHFFFAOYSA-N 0 0 228.247 3.464 10 0 BGAERN CCCCCc1cc(O)c2c(c1)O[C@H](C)CC2=O ZINC000039597103 347191856 /nfs/dbraw/zinc/19/18/56/347191856.db2.gz SFTRQPJQTMKBFB-SNVBAGLBSA-N 0 0 248.322 3.479 10 0 BGAERN CCCCCc1cc(O)c2c(c1)O[C@@H](C)CC2=O ZINC000039597105 347191213 /nfs/dbraw/zinc/19/12/13/347191213.db2.gz SFTRQPJQTMKBFB-JTQLQIEISA-N 0 0 248.322 3.479 10 0 BGAERN Cc1ccc(-c2nnc(Cl)s2)cc1 ZINC000039598734 360957704 /nfs/dbraw/zinc/95/77/04/360957704.db2.gz WWRFGQNXDKLDQD-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN Cc1ccc(-c2nnc(Cl)s2)cc1F ZINC000039598736 360957425 /nfs/dbraw/zinc/95/74/25/360957425.db2.gz 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OC1(CSc2ccccc2)CCCC1 ZINC000039648508 361069199 /nfs/dbraw/zinc/06/91/99/361069199.db2.gz FOGQCSFEEHTTMV-UHFFFAOYSA-N 0 0 208.326 3.084 10 0 BGAERN Oc1ccc(-c2nc(-c3ccccc3)no2)cc1 ZINC000039762360 183263891 /nfs/dbraw/zinc/26/38/91/183263891.db2.gz CBRHFQAIXBFVIF-UHFFFAOYSA-N 0 0 238.246 3.109 10 0 BGAERN CCSc1ccc(-c2ccc(CO)cn2)cc1 ZINC000039927633 343393245 /nfs/dbraw/zinc/39/32/45/343393245.db2.gz PJFGFYZNAUQBBP-UHFFFAOYSA-N 0 0 245.347 3.353 10 0 BGAERN Cc1ccc(C)c(-c2cccc(C=O)n2)c1 ZINC000039927772 178461175 /nfs/dbraw/zinc/46/11/75/178461175.db2.gz XBVTXLJANYYFTL-UHFFFAOYSA-N 0 0 211.264 3.178 10 0 BGAERN COc1ccc(F)cc1-c1ccc(C=O)s1 ZINC000039927887 175127722 /nfs/dbraw/zinc/12/77/22/175127722.db2.gz AORJVLHQNANGDO-UHFFFAOYSA-N 0 0 236.267 3.375 10 0 BGAERN COc1cccc(OC)c1-c1ccc(C=O)s1 ZINC000039927891 175281040 /nfs/dbraw/zinc/28/10/40/175281040.db2.gz DCQLOTKCCOHZFU-UHFFFAOYSA-N 0 0 248.303 3.245 10 0 BGAERN Fc1ccc2ccc(C(F)(F)F)nc2c1 ZINC000039946265 180990053 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Cc1ccc(-c2nc(-c3ccco3)n[nH]2)cc1 ZINC000040174257 178331523 /nfs/dbraw/zinc/33/15/23/178331523.db2.gz AWWVRGKZUQNFGT-UHFFFAOYSA-N 0 0 225.251 3.040 10 0 BGAERN CCOC(=O)c1ccc(CNc2ccccc2)o1 ZINC000040174271 170295222 /nfs/dbraw/zinc/29/52/22/170295222.db2.gz UGWXLQDSPCTMLP-UHFFFAOYSA-N 0 0 245.278 3.068 10 0 BGAERN Cc1ccc(-c2ccc(CO)cc2)c(C)c1 ZINC000040174813 178324551 /nfs/dbraw/zinc/32/45/51/178324551.db2.gz STNBXUUMPDKWLS-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1ccc(-c2cccc(CO)c2)c(C)c1 ZINC000040174815 178326388 /nfs/dbraw/zinc/32/63/88/178326388.db2.gz JOVVCWJITDVMNC-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1ccc(-c2ccccc2CO)c(C)c1 ZINC000040174817 178326895 /nfs/dbraw/zinc/32/68/95/178326895.db2.gz IJIQMUZXZYPOHC-UHFFFAOYSA-N 0 0 212.292 3.463 10 0 BGAERN Cc1cc(=S)c2cccc(Cl)c2[nH]1 ZINC000040175031 178217222 /nfs/dbraw/zinc/21/72/22/178217222.db2.gz WWDKJYURDCSQIJ-UHFFFAOYSA-N 0 0 209.701 3.485 10 0 BGAERN COc1ccc2c(c1)[nH]c(C)cc2=S ZINC000040175035 175203632 /nfs/dbraw/zinc/20/36/32/175203632.db2.gz QGWWYLAJDHNEDV-UHFFFAOYSA-N 0 0 205.282 3.214 10 0 BGAERN CCOC(=O)c1c[nH]c2ccc(C)cc2c1=S ZINC000040175665 170302782 /nfs/dbraw/zinc/30/27/82/170302782.db2.gz NJDNCYJIERBJGH-UHFFFAOYSA-N 0 0 247.319 3.009 10 0 BGAERN CC(C)c1nc(-c2cccc(Cl)c2)n[nH]1 ZINC000040175776 167656060 /nfs/dbraw/zinc/65/60/60/167656060.db2.gz VXGFEBNXNFWUJE-UHFFFAOYSA-N 0 0 221.691 3.249 10 0 BGAERN CC(C)c1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000040175777 373115236 /nfs/dbraw/zinc/11/52/36/373115236.db2.gz ZXUZENPMPIICIR-UHFFFAOYSA-N 0 0 221.691 3.249 10 0 BGAERN CCc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000040175801 171933886 /nfs/dbraw/zinc/93/38/86/171933886.db2.gz IMNZSWXHQASRNW-UHFFFAOYSA-N 0 0 229.327 3.332 10 0 BGAERN C[C@@H]1CCC[C@H](C)N1c1ccc(CO)cc1F ZINC000040176494 132347378 /nfs/dbraw/zinc/34/73/78/132347378.db2.gz BOLBDSKVRZAPJU-PHIMTYICSA-N 0 0 237.318 3.085 10 0 BGAERN C[C@H]1CCC[C@H](C)N1c1ccc(CO)cc1F ZINC000040176495 132347313 /nfs/dbraw/zinc/34/73/13/132347313.db2.gz 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LEMLVGXTQZDTSI-LBPRGKRZSA-N 0 0 238.327 3.318 10 0 BGAERN CCCCC[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000040243594 358233868 /nfs/dbraw/zinc/23/38/68/358233868.db2.gz LEMLVGXTQZDTSI-GFCCVEGCSA-N 0 0 238.327 3.318 10 0 BGAERN O[C@H](c1ccc(F)cc1)c1ccccc1F ZINC000040243653 183228539 /nfs/dbraw/zinc/22/85/39/183228539.db2.gz WBWUCGGEUJGAIH-CYBMUJFWSA-N 0 0 220.218 3.047 10 0 BGAERN O[C@@H](c1ccc(F)cc1)c1ccccc1F ZINC000040243654 183185040 /nfs/dbraw/zinc/18/50/40/183185040.db2.gz WBWUCGGEUJGAIH-ZDUSSCGKSA-N 0 0 220.218 3.047 10 0 BGAERN COc1cccc(C[C@H](O)c2ccc(F)cc2)c1 ZINC000040243673 175272412 /nfs/dbraw/zinc/27/24/12/175272412.db2.gz IMUXKLGTWMIGOF-HNNXBMFYSA-N 0 0 246.281 3.110 10 0 BGAERN COc1cccc(C[C@@H](O)c2ccc(F)cc2)c1 ZINC000040243674 175271657 /nfs/dbraw/zinc/27/16/57/175271657.db2.gz IMUXKLGTWMIGOF-OAHLLOKOSA-N 0 0 246.281 3.110 10 0 BGAERN COc1ccc(C[C@H](O)c2ccc(F)cc2)cc1 ZINC000040243707 187774385 /nfs/dbraw/zinc/77/43/85/187774385.db2.gz PZMAITCDZXNUSV-HNNXBMFYSA-N 0 0 246.281 3.110 10 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ZINC000040243958 355848391 /nfs/dbraw/zinc/84/83/91/355848391.db2.gz HLTYTUSRMCLPFH-LLVKDONJSA-N 0 0 208.644 3.015 10 0 BGAERN CCOc1ccc([C@H](O)c2ccccc2)cc1 ZINC000040244023 170563664 /nfs/dbraw/zinc/56/36/64/170563664.db2.gz TXFIIWAEXNZLOZ-OAHLLOKOSA-N 0 0 228.291 3.167 10 0 BGAERN CCOc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000040244024 352593775 /nfs/dbraw/zinc/59/37/75/352593775.db2.gz TXFIIWAEXNZLOZ-HNNXBMFYSA-N 0 0 228.291 3.167 10 0 BGAERN Cc1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040244285 352594104 /nfs/dbraw/zinc/59/41/04/352594104.db2.gz HHNFYNAAAQGFNN-AWEZNQCLSA-N 0 0 216.255 3.216 10 0 BGAERN Cc1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040244286 386656228 /nfs/dbraw/zinc/65/62/28/386656228.db2.gz HHNFYNAAAQGFNN-CQSZACIVSA-N 0 0 216.255 3.216 10 0 BGAERN COc1cccc(C[C@@H](O)c2ccc(C)cc2)c1 ZINC000040244301 175271485 /nfs/dbraw/zinc/27/14/85/175271485.db2.gz XAKRXMHIZLKPDF-MRXNPFEDSA-N 0 0 242.318 3.280 10 0 BGAERN COc1cccc(C[C@H](O)c2ccc(C)cc2)c1 ZINC000040244302 175272521 /nfs/dbraw/zinc/27/25/21/175272521.db2.gz XAKRXMHIZLKPDF-INIZCTEOSA-N 0 0 242.318 3.280 10 0 BGAERN COc1ccc(C[C@H](O)c2ccc(C)cc2)cc1 ZINC000040244332 187263508 /nfs/dbraw/zinc/26/35/08/187263508.db2.gz SPZQPOAFQXNCPI-INIZCTEOSA-N 0 0 242.318 3.280 10 0 BGAERN CCOc1ccc([C@H](O)c2ccc(C)cc2)cc1 ZINC000040244335 170564366 /nfs/dbraw/zinc/56/43/66/170564366.db2.gz DGZJYHAJHIVLPQ-MRXNPFEDSA-N 0 0 242.318 3.475 10 0 BGAERN COc1ccccc1C[C@@H](O)c1ccc(C)cc1 ZINC000040244379 175333191 /nfs/dbraw/zinc/33/31/91/175333191.db2.gz KNSNWYZRVWKPNE-OAHLLOKOSA-N 0 0 242.318 3.280 10 0 BGAERN COc1ccccc1C[C@H](O)c1ccc(C)cc1 ZINC000040244380 175334140 /nfs/dbraw/zinc/33/41/40/175334140.db2.gz KNSNWYZRVWKPNE-HNNXBMFYSA-N 0 0 242.318 3.280 10 0 BGAERN CCOc1ccc([C@H](O)c2cccc(C)c2)cc1 ZINC000040244445 352594129 /nfs/dbraw/zinc/59/41/29/352594129.db2.gz RFAQODKREYGDPN-INIZCTEOSA-N 0 0 242.318 3.475 10 0 BGAERN CCOc1ccc([C@@H](O)c2cccc(C)c2)cc1 ZINC000040244446 352593827 /nfs/dbraw/zinc/59/38/27/352593827.db2.gz RFAQODKREYGDPN-MRXNPFEDSA-N 0 0 242.318 3.475 10 0 BGAERN CCOc1ccc([C@H](O)c2cccc(F)c2)cc1 ZINC000040244461 352593931 /nfs/dbraw/zinc/59/39/31/352593931.db2.gz ZSZDKHYVYNOJGZ-HNNXBMFYSA-N 0 0 246.281 3.306 10 0 BGAERN CCOc1ccc([C@@H](O)c2cccc(F)c2)cc1 ZINC000040244462 352594269 /nfs/dbraw/zinc/59/42/69/352594269.db2.gz ZSZDKHYVYNOJGZ-OAHLLOKOSA-N 0 0 246.281 3.306 10 0 BGAERN CCOc1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040244467 170564362 /nfs/dbraw/zinc/56/43/62/170564362.db2.gz JRUQWFKWPXUCAJ-HNNXBMFYSA-N 0 0 246.281 3.306 10 0 BGAERN CCOc1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040244468 352594068 /nfs/dbraw/zinc/59/40/68/352594068.db2.gz JRUQWFKWPXUCAJ-OAHLLOKOSA-N 0 0 246.281 3.306 10 0 BGAERN CCOc1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000040244539 170564346 /nfs/dbraw/zinc/56/43/46/170564346.db2.gz ZDPNTQJZTDUMHL-MRXNPFEDSA-N 0 0 242.318 3.361 10 0 BGAERN CCOc1ccc([C@H](O)c2cccs2)cc1 ZINC000040244636 352594736 /nfs/dbraw/zinc/59/47/36/352594736.db2.gz HOMCQDPEQYJERP-ZDUSSCGKSA-N 0 0 234.320 3.229 10 0 BGAERN CCOc1ccc([C@@H](O)c2cccs2)cc1 ZINC000040244637 352594622 /nfs/dbraw/zinc/59/46/22/352594622.db2.gz HOMCQDPEQYJERP-CYBMUJFWSA-N 0 0 234.320 3.229 10 0 BGAERN CC[C@@H](C)[C@H](O)c1cc(F)ccc1F ZINC000040246332 355853922 /nfs/dbraw/zinc/85/39/22/355853922.db2.gz NVMKMKKEAHWBPA-HQJQHLMTSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@H](O)c1cc(F)ccc1F ZINC000040246333 355854347 /nfs/dbraw/zinc/85/43/47/355854347.db2.gz NVMKMKKEAHWBPA-CPCISQLKSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@@H](C)[C@@H](O)c1cc(F)ccc1F ZINC000040246334 355854138 /nfs/dbraw/zinc/85/41/38/355854138.db2.gz NVMKMKKEAHWBPA-RDDDGLTNSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@@H](O)c1cc(F)ccc1F ZINC000040246335 355854329 /nfs/dbraw/zinc/85/43/29/355854329.db2.gz NVMKMKKEAHWBPA-WRWORJQWSA-N 0 0 200.228 3.044 10 0 BGAERN COc1cccc(C[C@H](O)c2cccs2)c1 ZINC000040247545 175272759 /nfs/dbraw/zinc/27/27/59/175272759.db2.gz ZXUDGFMOAIVTIK-LBPRGKRZSA-N 0 0 234.320 3.033 10 0 BGAERN COc1cccc(C[C@@H](O)c2cccs2)c1 ZINC000040247546 175271198 /nfs/dbraw/zinc/27/11/98/175271198.db2.gz ZXUDGFMOAIVTIK-GFCCVEGCSA-N 0 0 234.320 3.033 10 0 BGAERN COc1ccc(CC[C@H](O)c2cccs2)cc1 ZINC000040247555 175093501 /nfs/dbraw/zinc/09/35/01/175093501.db2.gz VNOKIVIWNUHRTD-ZDUSSCGKSA-N 0 0 248.347 3.423 10 0 BGAERN COc1ccc(CC[C@@H](O)c2cccs2)cc1 ZINC000040247556 175093508 /nfs/dbraw/zinc/09/35/08/175093508.db2.gz VNOKIVIWNUHRTD-CYBMUJFWSA-N 0 0 248.347 3.423 10 0 BGAERN Cc1ccc(C)c([C@H](O)c2cccs2)c1 ZINC000040247577 352595016 /nfs/dbraw/zinc/59/50/16/352595016.db2.gz DQWDXTCCQORSTO-ZDUSSCGKSA-N 0 0 218.321 3.447 10 0 BGAERN Cc1ccc(C)c([C@@H](O)c2cccs2)c1 ZINC000040247578 386656540 /nfs/dbraw/zinc/65/65/40/386656540.db2.gz DQWDXTCCQORSTO-CYBMUJFWSA-N 0 0 218.321 3.447 10 0 BGAERN COc1ccccc1C[C@H](O)c1cccs1 ZINC000040247631 175333574 /nfs/dbraw/zinc/33/35/74/175333574.db2.gz DKCZUDXUTUVTLE-NSHDSACASA-N 0 0 234.320 3.033 10 0 BGAERN COc1ccccc1C[C@@H](O)c1cccs1 ZINC000040247632 175333061 /nfs/dbraw/zinc/33/30/61/175333061.db2.gz DKCZUDXUTUVTLE-LLVKDONJSA-N 0 0 234.320 3.033 10 0 BGAERN Cc1cc([C@H](O)c2cccs2)c(C)o1 ZINC000040247665 355862543 /nfs/dbraw/zinc/86/25/43/355862543.db2.gz PLSVKUUQERNMPH-NSHDSACASA-N 0 0 208.282 3.040 10 0 BGAERN Cc1cc([C@@H](O)c2cccs2)c(C)o1 ZINC000040247666 355862464 /nfs/dbraw/zinc/86/24/64/355862464.db2.gz PLSVKUUQERNMPH-LLVKDONJSA-N 0 0 208.282 3.040 10 0 BGAERN CCCC[C@H](O)c1ccc(F)cc1F ZINC000040249002 373132825 /nfs/dbraw/zinc/13/28/25/373132825.db2.gz KSQUQQAMEZSKPI-NSHDSACASA-N 0 0 200.228 3.188 10 0 BGAERN CCCC[C@@H](O)c1ccc(F)cc1F ZINC000040249003 373132453 /nfs/dbraw/zinc/13/24/53/373132453.db2.gz KSQUQQAMEZSKPI-LLVKDONJSA-N 0 0 200.228 3.188 10 0 BGAERN CC(C)(C)[C@H](O)c1ccc(F)cc1F ZINC000040249054 373126150 /nfs/dbraw/zinc/12/61/50/373126150.db2.gz ZQHVFLJIIGCZSI-SNVBAGLBSA-N 0 0 200.228 3.044 10 0 BGAERN CC(C)(C)[C@@H](O)c1ccc(F)cc1F ZINC000040249055 373128256 /nfs/dbraw/zinc/12/82/56/373128256.db2.gz ZQHVFLJIIGCZSI-JTQLQIEISA-N 0 0 200.228 3.044 10 0 BGAERN CC(C)(C)c1ccc([C@@H](O)c2cccnc2)cc1 ZINC000040254242 188291753 /nfs/dbraw/zinc/29/17/53/188291753.db2.gz IIUOUPDUGQBPII-OAHLLOKOSA-N 0 0 241.334 3.461 10 0 BGAERN CC[C@@H](C)[C@H](O)c1ccc(F)c(F)c1 ZINC000040254418 373136494 /nfs/dbraw/zinc/13/64/94/373136494.db2.gz CZWFNQQGHBASJR-HQJQHLMTSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@H](O)c1ccc(F)c(F)c1 ZINC000040254420 373136914 /nfs/dbraw/zinc/13/69/14/373136914.db2.gz CZWFNQQGHBASJR-CPCISQLKSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@@H](C)[C@@H](O)c1ccc(F)c(F)c1 ZINC000040254422 373136827 /nfs/dbraw/zinc/13/68/27/373136827.db2.gz CZWFNQQGHBASJR-RDDDGLTNSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@@H](O)c1ccc(F)c(F)c1 ZINC000040254424 373135936 /nfs/dbraw/zinc/13/59/36/373135936.db2.gz CZWFNQQGHBASJR-WRWORJQWSA-N 0 0 200.228 3.044 10 0 BGAERN CC(C)(C)[C@H](O)c1ccc(F)c(F)c1 ZINC000040254578 187601180 /nfs/dbraw/zinc/60/11/80/187601180.db2.gz ZJHGNBINMGLYEH-SNVBAGLBSA-N 0 0 200.228 3.044 10 0 BGAERN CC(C)(C)[C@@H](O)c1ccc(F)c(F)c1 ZINC000040254579 187263630 /nfs/dbraw/zinc/26/36/30/187263630.db2.gz ZJHGNBINMGLYEH-JTQLQIEISA-N 0 0 200.228 3.044 10 0 BGAERN CCc1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040254761 171844630 /nfs/dbraw/zinc/84/46/30/171844630.db2.gz OOBSITZHLVLVKU-HNNXBMFYSA-N 0 0 230.282 3.470 10 0 BGAERN CCc1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040254763 171836100 /nfs/dbraw/zinc/83/61/00/171836100.db2.gz OOBSITZHLVLVKU-OAHLLOKOSA-N 0 0 230.282 3.470 10 0 BGAERN Cc1cc([C@H](O)CC(F)(F)F)c(C)s1 ZINC000040257365 355884499 /nfs/dbraw/zinc/88/44/99/355884499.db2.gz QOKZNSKPUMAMHC-MRVPVSSYSA-N 0 0 224.247 3.351 10 0 BGAERN Cc1cc([C@@H](O)CC(F)(F)F)c(C)s1 ZINC000040257367 343399037 /nfs/dbraw/zinc/39/90/37/343399037.db2.gz QOKZNSKPUMAMHC-QMMMGPOBSA-N 0 0 224.247 3.351 10 0 BGAERN CC(C)(C)[C@H](O)c1ccc(Cl)s1 ZINC000040257869 355885066 /nfs/dbraw/zinc/88/50/66/355885066.db2.gz FPKPRBGKAZOLPN-MRVPVSSYSA-N 0 0 204.722 3.481 10 0 BGAERN CC(C)(C)[C@@H](O)c1ccc(Cl)s1 ZINC000040257871 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WDFCRSGHJSAINO-INIZCTEOSA-N 0 0 241.334 3.143 10 0 BGAERN Cc1cccc(-c2c(N)onc2C(F)(F)F)c1 ZINC000041286334 178992271 /nfs/dbraw/zinc/99/22/71/178992271.db2.gz YBXHQRXKYGEXSV-UHFFFAOYSA-N 0 0 242.200 3.251 10 0 BGAERN COc1ccc(C[C@H](O)c2cccc(C)c2)cc1 ZINC000041286578 187429582 /nfs/dbraw/zinc/42/95/82/187429582.db2.gz YPJDDAOGMQMVEV-INIZCTEOSA-N 0 0 242.318 3.280 10 0 BGAERN C[C@@H](CO)COc1ccc(-c2ccccc2)cc1 ZINC000041286692 175745183 /nfs/dbraw/zinc/74/51/83/175745183.db2.gz RLQNSSAKENEATE-ZDUSSCGKSA-N 0 0 242.318 3.361 10 0 BGAERN Cc1cccc(OCCNc2ccccc2N)c1 ZINC000041286903 179170041 /nfs/dbraw/zinc/17/00/41/179170041.db2.gz NNYPBPYAOQQBFX-UHFFFAOYSA-N 0 0 242.322 3.068 10 0 BGAERN COC(=O)C[C@H](C)c1ccc(OC)c(Cl)c1 ZINC000041287314 357332981 /nfs/dbraw/zinc/33/29/81/357332981.db2.gz MHDMIHSCJZXKEL-QMMMGPOBSA-N 0 0 242.702 3.015 10 0 BGAERN COC(=O)C[C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000041287317 357332946 /nfs/dbraw/zinc/33/29/46/357332946.db2.gz MHDMIHSCJZXKEL-MRVPVSSYSA-N 0 0 242.702 3.015 10 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/nfs/dbraw/zinc/17/78/01/170177801.db2.gz SHPMKQHBQSGDCO-UHFFFAOYSA-N 0 0 222.313 3.127 10 0 BGAERN CC(C)Nc1nc2c(cccc2F)s1 ZINC000041651543 167149742 /nfs/dbraw/zinc/14/97/42/167149742.db2.gz JEWNVOFBRSHLRJ-UHFFFAOYSA-N 0 0 210.277 3.256 10 0 BGAERN CC(C)Nc1nc2ccc(F)cc2s1 ZINC000041651561 167149822 /nfs/dbraw/zinc/14/98/22/167149822.db2.gz BTUFRRVEYOAVFG-UHFFFAOYSA-N 0 0 210.277 3.256 10 0 BGAERN Cc1cccc(C)c1-c1csc(N)n1 ZINC000041656368 179029448 /nfs/dbraw/zinc/02/94/48/179029448.db2.gz BXXFPTYDCWRSAM-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1c(Cl)cccc1-c1csc(N)n1 ZINC000041656557 374170846 /nfs/dbraw/zinc/17/08/46/374170846.db2.gz LRTXVULVXHDUON-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN Cc1ccc(N)cc1-c1cccc(F)c1 ZINC000041660558 641545574 /nfs/dbraw/zinc/54/55/74/641545574.db2.gz PDMFKRJGHZFWQZ-UHFFFAOYSA-N 0 0 201.244 3.383 10 0 BGAERN Oc1ccccc1-c1ccc(F)c(F)c1 ZINC000041662440 183298082 /nfs/dbraw/zinc/29/80/82/183298082.db2.gz AYGLYQFUQROARE-UHFFFAOYSA-N 0 0 206.191 3.337 10 0 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0 BGAERN Nc1c(Cl)cnc2ccc(Cl)cc12 ZINC000041702244 181668337 /nfs/dbraw/zinc/66/83/37/181668337.db2.gz VEXPWIPBTQDXIG-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Nc1c(Cl)cnc2c(Cl)cccc12 ZINC000041702250 181668567 /nfs/dbraw/zinc/66/85/67/181668567.db2.gz YKHRAAZKONDUMF-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Cc1cc2ncc(Cl)c(N)c2cc1C ZINC000041702322 178303066 /nfs/dbraw/zinc/30/30/66/178303066.db2.gz NERIAFSPYIEROS-UHFFFAOYSA-N 0 0 206.676 3.087 10 0 BGAERN Cc1c(Cl)ccc2c(N)c(Cl)cnc12 ZINC000041702429 177598401 /nfs/dbraw/zinc/59/84/01/177598401.db2.gz IDNBDJHCQHVUHA-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN Cc1cc(Cl)c2ncc(Cl)c(N)c2c1 ZINC000041702438 178062042 /nfs/dbraw/zinc/06/20/42/178062042.db2.gz FEEAFGBQZUNRRF-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN CC[C@@H](C)n1c(C)cc2c1CCCC2=O ZINC000041705037 374178961 /nfs/dbraw/zinc/17/89/61/374178961.db2.gz TUALQBXCCFJHQZ-SECBINFHSA-N 0 0 205.301 3.287 10 0 BGAERN CC[C@H](C)n1c(C)cc2c1CCCC2=O ZINC000041705041 374178933 /nfs/dbraw/zinc/17/89/33/374178933.db2.gz TUALQBXCCFJHQZ-VIFPVBQESA-N 0 0 205.301 3.287 10 0 BGAERN CCC(CC)n1ccc2c1CCCC2=O ZINC000041705136 374178882 /nfs/dbraw/zinc/17/88/82/374178882.db2.gz YEYNMFQTZDLACG-UHFFFAOYSA-N 0 0 205.301 3.368 10 0 BGAERN CCCn1ccc2c1CC(C)(C)CC2=O ZINC000041705157 374178634 /nfs/dbraw/zinc/17/86/34/374178634.db2.gz QDKCFAYHNVIMCS-UHFFFAOYSA-N 0 0 205.301 3.053 10 0 BGAERN CCC(C)(C)n1ccc2c1CCCC2=O ZINC000041705179 343423115 /nfs/dbraw/zinc/42/31/15/343423115.db2.gz SNAFIMKNWOBHIN-UHFFFAOYSA-N 0 0 205.301 3.152 10 0 BGAERN CC(C)n1ccc2c1CC(C)(C)CC2=O ZINC000041705323 374178841 /nfs/dbraw/zinc/17/88/41/374178841.db2.gz UDHYNTCZSDFEDI-UHFFFAOYSA-N 0 0 205.301 3.224 10 0 BGAERN CCCCn1c(C)cc2c1CCCC2=O ZINC000041705483 374178276 /nfs/dbraw/zinc/17/82/76/374178276.db2.gz SERLLZSPFNNBHA-UHFFFAOYSA-N 0 0 205.301 3.116 10 0 BGAERN CC(C)CCn1ccc2c1CCCC2=O ZINC000041705517 374178844 /nfs/dbraw/zinc/17/88/44/374178844.db2.gz SPIWZXZWZYRAPX-UHFFFAOYSA-N 0 0 205.301 3.053 10 0 BGAERN CC(C)(C)Cn1ccc2c1CCCC2=O ZINC000041707142 374178943 /nfs/dbraw/zinc/17/89/43/374178943.db2.gz JIKIPYTXGUQVRY-UHFFFAOYSA-N 0 0 205.301 3.053 10 0 BGAERN CC(C)[C@@H](C)Nc1cnc2ccccc2n1 ZINC000041872534 167387267 /nfs/dbraw/zinc/38/72/67/167387267.db2.gz YPKJECXBDQNBBV-SNVBAGLBSA-N 0 0 215.300 3.086 10 0 BGAERN CC(C)[C@H](C)Nc1cnc2ccccc2n1 ZINC000041872536 188257430 /nfs/dbraw/zinc/25/74/30/188257430.db2.gz YPKJECXBDQNBBV-JTQLQIEISA-N 0 0 215.300 3.086 10 0 BGAERN C[C@H](O)c1cccc(OCC2CCCC2)c1 ZINC000042011416 637049181 /nfs/dbraw/zinc/04/91/81/637049181.db2.gz XRHOYYVBDWPVAQ-NSHDSACASA-N 0 0 220.312 3.309 10 0 BGAERN C[C@@H](O)c1cccc(OCC2CCCC2)c1 ZINC000042011417 637048326 /nfs/dbraw/zinc/04/83/26/637048326.db2.gz XRHOYYVBDWPVAQ-LLVKDONJSA-N 0 0 220.312 3.309 10 0 BGAERN CNc1ccccc1C(=O)N(C)c1ccccc1 ZINC000042031778 188477020 /nfs/dbraw/zinc/47/70/20/188477020.db2.gz STTBQOFDPURBNF-UHFFFAOYSA-N 0 0 240.306 3.005 10 0 BGAERN CC[C@@H]1CCCCN1C(=O)c1ccccc1NC ZINC000042031992 170962454 /nfs/dbraw/zinc/96/24/54/170962454.db2.gz LGYNTTYXYCZGTL-GFCCVEGCSA-N 0 0 246.354 3.133 10 0 BGAERN CC[C@H]1CCCCN1C(=O)c1ccccc1NC ZINC000042031994 171606362 /nfs/dbraw/zinc/60/63/62/171606362.db2.gz LGYNTTYXYCZGTL-LBPRGKRZSA-N 0 0 246.354 3.133 10 0 BGAERN CC(C)CN(CC(C)C)c1ccc(Cl)nn1 ZINC000042034923 344442842 /nfs/dbraw/zinc/44/28/42/344442842.db2.gz SXSDGQKSJFWLJF-UHFFFAOYSA-N 0 0 241.766 3.248 10 0 BGAERN Nc1ccc2nc(SC(F)F)sc2c1 ZINC000042141671 361960873 /nfs/dbraw/zinc/96/08/73/361960873.db2.gz FFGJLOXFVJLCKH-UHFFFAOYSA-N 0 0 232.280 3.193 10 0 BGAERN Cc1cccc(Sc2ccc(N)cc2)n1 ZINC000042143753 179177239 /nfs/dbraw/zinc/17/72/39/179177239.db2.gz UVROHODBLMEQTH-UHFFFAOYSA-N 0 0 216.309 3.123 10 0 BGAERN Cc1cccc(Sc2ccccc2N)n1 ZINC000042144081 179177582 /nfs/dbraw/zinc/17/75/82/179177582.db2.gz DMRDMTAEIDLGIC-UHFFFAOYSA-N 0 0 216.309 3.123 10 0 BGAERN CCCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000042161603 168554657 /nfs/dbraw/zinc/55/46/57/168554657.db2.gz CVBGEYAFZDLJNZ-NSHDSACASA-N 0 0 219.328 3.226 10 0 BGAERN CCCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000042161605 343430507 /nfs/dbraw/zinc/43/05/07/343430507.db2.gz CVBGEYAFZDLJNZ-LLVKDONJSA-N 0 0 219.328 3.226 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)CC(C)C)cc1 ZINC000042161766 487864025 /nfs/dbraw/zinc/86/40/25/487864025.db2.gz UFZWIXMIJVUAQR-GFCCVEGCSA-N 0 0 233.355 3.472 10 0 BGAERN CCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000042162519 343430487 /nfs/dbraw/zinc/43/04/87/343430487.db2.gz XDLNVFYTHXVWOV-LBPRGKRZSA-N 0 0 219.328 3.362 10 0 BGAERN CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042162652 410973470 /nfs/dbraw/zinc/97/34/70/410973470.db2.gz NUKXVWHRVKKYOD-SNVBAGLBSA-N 0 0 205.301 3.007 10 0 BGAERN CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042162654 410973607 /nfs/dbraw/zinc/97/36/07/410973607.db2.gz NUKXVWHRVKKYOD-JTQLQIEISA-N 0 0 205.301 3.007 10 0 BGAERN CCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042162738 168236499 /nfs/dbraw/zinc/23/64/99/168236499.db2.gz WAAPGAKQOSEAQQ-NSHDSACASA-N 0 0 219.328 3.397 10 0 BGAERN CC1(Nc2ccc(F)cc2N)CCCC1 ZINC000042176407 168064566 /nfs/dbraw/zinc/06/45/66/168064566.db2.gz MIZJMLJDZKYXSI-UHFFFAOYSA-N 0 0 208.280 3.153 10 0 BGAERN CC1(Nc2ccc(N)cc2F)CCCC1 ZINC000042176418 168063912 /nfs/dbraw/zinc/06/39/12/168063912.db2.gz TZHDNEQRILELCP-UHFFFAOYSA-N 0 0 208.280 3.153 10 0 BGAERN CC1(Nc2cccc(F)c2N)CCCC1 ZINC000042176506 168065411 /nfs/dbraw/zinc/06/54/11/168065411.db2.gz NCRZYDSPLDMAQM-UHFFFAOYSA-N 0 0 208.280 3.153 10 0 BGAERN CC1(Nc2cc(N)cc(F)c2)CCCC1 ZINC000042176508 168064069 /nfs/dbraw/zinc/06/40/69/168064069.db2.gz JOWBECXZMGEQEM-UHFFFAOYSA-N 0 0 208.280 3.153 10 0 BGAERN CC1(Nc2ccc(Cl)cn2)CCCC1 ZINC000042187694 168064609 /nfs/dbraw/zinc/06/46/09/168064609.db2.gz MHRWBSDRQSIPBV-UHFFFAOYSA-N 0 0 210.708 3.480 10 0 BGAERN O=Cc1cnn(C2CCCC2)c1-c1ccccc1 ZINC000042188525 384205662 /nfs/dbraw/zinc/20/56/62/384205662.db2.gz CUNLMBQOMSRAGD-UHFFFAOYSA-N 0 0 240.306 3.478 10 0 BGAERN C[C@H](Nc1ncccn1)c1ccc(Cl)cc1 ZINC000042205816 352615301 /nfs/dbraw/zinc/61/53/01/352615301.db2.gz BCZREPMHMKZSBA-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@@H](Nc1ncccn1)c1ccc(Cl)cc1 ZINC000042205819 352615539 /nfs/dbraw/zinc/61/55/39/352615539.db2.gz BCZREPMHMKZSBA-SECBINFHSA-N 0 0 233.702 3.303 10 0 BGAERN C[C@H](Nc1cnccn1)c1ccc(Cl)cc1 ZINC000042205821 188397414 /nfs/dbraw/zinc/39/74/14/188397414.db2.gz SYRSZGUPZNVZAJ-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@@H](Nc1cnccn1)c1ccc(Cl)cc1 ZINC000042205824 175936049 /nfs/dbraw/zinc/93/60/49/175936049.db2.gz SYRSZGUPZNVZAJ-SECBINFHSA-N 0 0 233.702 3.303 10 0 BGAERN CC(C)(C)c1csc(-n2cccc2)n1 ZINC000042207729 374254076 /nfs/dbraw/zinc/25/40/76/374254076.db2.gz DYXVIRHDWQTLGZ-UHFFFAOYSA-N 0 0 206.314 3.231 10 0 BGAERN C[C@@H](Nc1nccs1)c1ccc(F)cc1 ZINC000042209517 175938920 /nfs/dbraw/zinc/93/89/20/175938920.db2.gz NCXBAANUFSRZOI-MRVPVSSYSA-N 0 0 222.288 3.455 10 0 BGAERN CC(C)[C@H](Nc1ncccn1)c1cccs1 ZINC000042210431 188119880 /nfs/dbraw/zinc/11/98/80/188119880.db2.gz ZJLGKKOQIUDXIK-NSHDSACASA-N 0 0 233.340 3.347 10 0 BGAERN Cc1ccc([C@@H](C)Nc2nsnc2Cl)o1 ZINC000042238176 178852931 /nfs/dbraw/zinc/85/29/31/178852931.db2.gz MZZADHILNNPWCB-ZCFIWIBFSA-N 0 0 243.719 3.266 10 0 BGAERN CCC1CCC(NC(=O)c2ccccc2O)CC1 ZINC000042239095 322837336 /nfs/dbraw/zinc/83/73/36/322837336.db2.gz IGBTZKDBUCAXJX-UHFFFAOYSA-N 0 0 247.338 3.091 10 0 BGAERN Fc1cc(Cl)ccc1NCC(F)(F)F ZINC000042240286 361974236 /nfs/dbraw/zinc/97/42/36/361974236.db2.gz MOAKVUZFWQQFCU-UHFFFAOYSA-N 0 0 227.588 3.453 10 0 BGAERN C[C@H](Nc1ncccn1)c1ccc(Cl)s1 ZINC000042240380 176940090 /nfs/dbraw/zinc/94/00/90/176940090.db2.gz WTFPCNCWEYLPSH-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1ncccn1)c1ccc(Cl)s1 ZINC000042240381 175937927 /nfs/dbraw/zinc/93/79/27/175937927.db2.gz WTFPCNCWEYLPSH-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@H](Nc1cnccn1)c1ccc(Cl)s1 ZINC000042249922 398321545 /nfs/dbraw/zinc/32/15/45/398321545.db2.gz RAOCTAHDETUXIB-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1cnccn1)c1ccc(Cl)s1 ZINC000042249927 344447648 /nfs/dbraw/zinc/44/76/48/344447648.db2.gz RAOCTAHDETUXIB-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN Cc1nccn1C[C@H](O)c1ccc(C(C)C)cc1 ZINC000042253185 180269585 /nfs/dbraw/zinc/26/95/85/180269585.db2.gz DYKCMGAUMCVDKI-HNNXBMFYSA-N 0 0 244.338 3.049 10 0 BGAERN Cc1nccn1C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000042253190 180264046 /nfs/dbraw/zinc/26/40/46/180264046.db2.gz DYKCMGAUMCVDKI-OAHLLOKOSA-N 0 0 244.338 3.049 10 0 BGAERN CCc1ccc([C@H](O)c2cccs2)s1 ZINC000042268219 361976315 /nfs/dbraw/zinc/97/63/15/361976315.db2.gz SVYDWTGXBWWYHN-LLVKDONJSA-N 0 0 224.350 3.454 10 0 BGAERN CCc1ccc([C@@H](O)c2cccs2)s1 ZINC000042268221 361976206 /nfs/dbraw/zinc/97/62/06/361976206.db2.gz SVYDWTGXBWWYHN-NSHDSACASA-N 0 0 224.350 3.454 10 0 BGAERN Cc1cc(C)c([C@H](O)C(F)(F)F)c(C)c1 ZINC000042268389 358344464 /nfs/dbraw/zinc/34/44/64/358344464.db2.gz FLVCXPCTCZOGJF-JTQLQIEISA-N 0 0 218.218 3.208 10 0 BGAERN Cc1cc(C)c([C@@H](O)C(F)(F)F)c(C)c1 ZINC000042268392 358344343 /nfs/dbraw/zinc/34/43/43/358344343.db2.gz FLVCXPCTCZOGJF-SNVBAGLBSA-N 0 0 218.218 3.208 10 0 BGAERN C[C@H](OC1CCCC1)c1cccc(N)c1 ZINC000042288347 177020576 /nfs/dbraw/zinc/02/05/76/177020576.db2.gz LJGPEJIVIMITTB-JTQLQIEISA-N 0 0 205.301 3.289 10 0 BGAERN C[C@@H](OC1CCCC1)c1cccc(N)c1 ZINC000042288349 176002682 /nfs/dbraw/zinc/00/26/82/176002682.db2.gz LJGPEJIVIMITTB-SNVBAGLBSA-N 0 0 205.301 3.289 10 0 BGAERN C[C@H](OC1CCCC1)c1ccc(N)cc1 ZINC000042288420 177020168 /nfs/dbraw/zinc/02/01/68/177020168.db2.gz IXTLGLIACKVJTC-JTQLQIEISA-N 0 0 205.301 3.289 10 0 BGAERN C[C@@H](OC1CCCC1)c1ccc(N)cc1 ZINC000042288422 176002243 /nfs/dbraw/zinc/00/22/43/176002243.db2.gz IXTLGLIACKVJTC-SNVBAGLBSA-N 0 0 205.301 3.289 10 0 BGAERN CC(C)CSc1nc2ccc(N)cc2o1 ZINC000042294581 188150647 /nfs/dbraw/zinc/15/06/47/188150647.db2.gz BAUWFCDJWWSTPC-UHFFFAOYSA-N 0 0 222.313 3.158 10 0 BGAERN COC(=O)[C@@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042304196 322838375 /nfs/dbraw/zinc/83/83/75/322838375.db2.gz QXKZGLCUSMJHQN-VXGBXAGGSA-N 0 0 249.354 3.022 10 0 BGAERN COC(=O)[C@@H](C)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042304199 322838373 /nfs/dbraw/zinc/83/83/73/322838373.db2.gz QXKZGLCUSMJHQN-NWDGAFQWSA-N 0 0 249.354 3.022 10 0 BGAERN CCC1CCC(Nc2nc(C)cc(C)n2)CC1 ZINC000042338511 322837856 /nfs/dbraw/zinc/83/78/56/322837856.db2.gz KWTDCSPPYXTZPL-UHFFFAOYSA-N 0 0 233.359 3.474 10 0 BGAERN COc1ccc(NC2CCSCC2)cc1C ZINC000042350218 175149242 /nfs/dbraw/zinc/14/92/42/175149242.db2.gz LREJQQVPZJBKQP-UHFFFAOYSA-N 0 0 237.368 3.311 10 0 BGAERN COc1ccc(NCc2ccco2)cc1C ZINC000042350227 175152309 /nfs/dbraw/zinc/15/23/09/175152309.db2.gz GBATYYJNTWMMEK-UHFFFAOYSA-N 0 0 217.268 3.209 10 0 BGAERN COc1ccc(NCc2cscn2)cc1C ZINC000042371705 175152756 /nfs/dbraw/zinc/15/27/56/175152756.db2.gz TZNDUBKMESIHFN-UHFFFAOYSA-N 0 0 234.324 3.072 10 0 BGAERN CCCc1cc(Cl)nc(N2CCCCC2)n1 ZINC000042372624 535396948 /nfs/dbraw/zinc/39/69/48/535396948.db2.gz ZXQCXEDFIJBXOX-UHFFFAOYSA-N 0 0 239.750 3.073 10 0 BGAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1 ZINC000042372791 176082933 /nfs/dbraw/zinc/08/29/33/176082933.db2.gz FSMIPMHNVQBDSC-MFKMUULPSA-N 0 0 233.311 3.004 10 0 BGAERN C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(N)cc1 ZINC000042372792 177083665 /nfs/dbraw/zinc/08/36/65/177083665.db2.gz FSMIPMHNVQBDSC-GWCFXTLKSA-N 0 0 233.311 3.004 10 0 BGAERN C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000042372793 176089291 /nfs/dbraw/zinc/08/92/91/176089291.db2.gz FSMIPMHNVQBDSC-ZWNOBZJWSA-N 0 0 233.311 3.004 10 0 BGAERN C[C@H]1CCCC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000042372794 177089335 /nfs/dbraw/zinc/08/93/35/177089335.db2.gz FSMIPMHNVQBDSC-GXFFZTMASA-N 0 0 233.311 3.004 10 0 BGAERN Cc1cc(C(=O)O[C@@H]2CCC[C@H](C)C2)ccc1N ZINC000042372817 177825648 /nfs/dbraw/zinc/82/56/48/177825648.db2.gz OHMUZODASLHVPU-GXFFZTMASA-N 0 0 247.338 3.313 10 0 BGAERN Cc1cc(C(=O)O[C@H]2CCC[C@@H](C)C2)ccc1N ZINC000042372820 177826292 /nfs/dbraw/zinc/82/62/92/177826292.db2.gz OHMUZODASLHVPU-MFKMUULPSA-N 0 0 247.338 3.313 10 0 BGAERN CC(C)OC(=O)c1cc2cc(N)ccc2s1 ZINC000042373315 167172501 /nfs/dbraw/zinc/17/25/01/167172501.db2.gz JRQUUYWHLMPSBD-UHFFFAOYSA-N 0 0 235.308 3.049 10 0 BGAERN CCCn1ccnc1C(=O)c1ccccc1Cl ZINC000042373513 188131513 /nfs/dbraw/zinc/13/15/13/188131513.db2.gz AXKMMNSAQVXKTM-UHFFFAOYSA-N 0 0 248.713 3.178 10 0 BGAERN CC(C)(C)Nc1ncccc1Br ZINC000042376150 361989572 /nfs/dbraw/zinc/98/95/72/361989572.db2.gz VRSKVBQTORHRFU-UHFFFAOYSA-N 0 0 229.121 3.055 10 0 BGAERN CC[C@@H](C)Oc1ncccc1Br ZINC000042376471 343435882 /nfs/dbraw/zinc/43/58/82/343435882.db2.gz YGMPORUALAKGKZ-SSDOTTSWSA-N 0 0 230.105 3.021 10 0 BGAERN CC[C@H](C)Oc1ncccc1Br ZINC000042376472 361988907 /nfs/dbraw/zinc/98/89/07/361988907.db2.gz YGMPORUALAKGKZ-ZETCQYMHSA-N 0 0 230.105 3.021 10 0 BGAERN CCC(C)(C)Nc1ccc(Br)cn1 ZINC000042376609 168303491 /nfs/dbraw/zinc/30/34/91/168303491.db2.gz NHPPGPGRXRBPTF-UHFFFAOYSA-N 0 0 243.148 3.445 10 0 BGAERN CC[C@@H](C)N(C)c1ccc(Br)cn1 ZINC000042376862 361988701 /nfs/dbraw/zinc/98/87/01/361988701.db2.gz JHZGLUGDQFECBO-MRVPVSSYSA-N 0 0 243.148 3.079 10 0 BGAERN CC[C@H](C)N(C)c1ccc(Br)cn1 ZINC000042376864 361988862 /nfs/dbraw/zinc/98/88/62/361988862.db2.gz JHZGLUGDQFECBO-QMMMGPOBSA-N 0 0 243.148 3.079 10 0 BGAERN CC[C@@H](C)Oc1ccc(Br)cn1 ZINC000042389905 374267030 /nfs/dbraw/zinc/26/70/30/374267030.db2.gz PKMKUNRBMJKQFX-SSDOTTSWSA-N 0 0 230.105 3.021 10 0 BGAERN CC[C@H](C)Oc1ccc(Br)cn1 ZINC000042389909 374268009 /nfs/dbraw/zinc/26/80/09/374268009.db2.gz PKMKUNRBMJKQFX-ZETCQYMHSA-N 0 0 230.105 3.021 10 0 BGAERN S=c1[nH]ccn1CCc1ccc(Cl)cc1 ZINC000042396532 183314732 /nfs/dbraw/zinc/31/47/32/183314732.db2.gz NCIFSBICWQWYJG-UHFFFAOYSA-N 0 0 238.743 3.442 10 0 BGAERN O=C1CCC[C@H]1Cc1ccc(F)cc1Cl ZINC000042397256 361996032 /nfs/dbraw/zinc/99/60/32/361996032.db2.gz BVEXBIGNTZCNHR-VIFPVBQESA-N 0 0 226.678 3.391 10 0 BGAERN O=C1CCC[C@@H]1Cc1ccc(F)cc1Cl ZINC000042397258 361995905 /nfs/dbraw/zinc/99/59/05/361995905.db2.gz BVEXBIGNTZCNHR-SECBINFHSA-N 0 0 226.678 3.391 10 0 BGAERN O=C1CCC[C@H]1Cc1ccc(Cl)s1 ZINC000042397275 343436651 /nfs/dbraw/zinc/43/66/51/343436651.db2.gz FWUCBRCZAZCQJM-ZETCQYMHSA-N 0 0 214.717 3.313 10 0 BGAERN O=C1CCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042397279 361995592 /nfs/dbraw/zinc/99/55/92/361995592.db2.gz FWUCBRCZAZCQJM-SSDOTTSWSA-N 0 0 214.717 3.313 10 0 BGAERN CCc1ccc(C[C@@H]2CCCC2=O)s1 ZINC000042397291 361995752 /nfs/dbraw/zinc/99/57/52/361995752.db2.gz SXXACNUJYQPTPP-VIFPVBQESA-N 0 0 208.326 3.222 10 0 BGAERN CCc1ccc(C[C@H]2CCCC2=O)s1 ZINC000042397293 361995325 /nfs/dbraw/zinc/99/53/25/361995325.db2.gz SXXACNUJYQPTPP-SECBINFHSA-N 0 0 208.326 3.222 10 0 BGAERN Cc1cc(C)cc(C[C@@H]2CCCC2=O)c1 ZINC000042397436 361996009 /nfs/dbraw/zinc/99/60/09/361996009.db2.gz GJRHHJIDWLFVOP-ZDUSSCGKSA-N 0 0 202.297 3.215 10 0 BGAERN Cc1cc(C)cc(C[C@H]2CCCC2=O)c1 ZINC000042397440 361995165 /nfs/dbraw/zinc/99/51/65/361995165.db2.gz GJRHHJIDWLFVOP-CYBMUJFWSA-N 0 0 202.297 3.215 10 0 BGAERN Clc1nc(-c2cccs2)nc2c1CCC2 ZINC000042400216 180601249 /nfs/dbraw/zinc/60/12/49/180601249.db2.gz KALWCPCQAZRLKL-UHFFFAOYSA-N 0 0 236.727 3.347 10 0 BGAERN CC(C)c1nc(Cl)c2c(n1)CCCC2 ZINC000042403570 374270061 /nfs/dbraw/zinc/27/00/61/374270061.db2.gz WOWSBNGJUUSICD-UHFFFAOYSA-N 0 0 210.708 3.132 10 0 BGAERN CC(C)(C)c1nc(Cl)c2c(n1)CCCC2 ZINC000042403590 374269075 /nfs/dbraw/zinc/26/90/75/374269075.db2.gz HLXDUYBNRFPFPJ-UHFFFAOYSA-N 0 0 224.735 3.306 10 0 BGAERN Clc1nc(-c2ccco2)nc2c1CCCC2 ZINC000042403637 180601268 /nfs/dbraw/zinc/60/12/68/180601268.db2.gz NFPZAQZQFLBNEI-UHFFFAOYSA-N 0 0 234.686 3.269 10 0 BGAERN Cc1cc(C)c2[nH]c3c(c(=O)c2c1)CCCC3 ZINC000042403922 387508555 /nfs/dbraw/zinc/50/85/55/387508555.db2.gz LRPGFDJZDUMOQN-UHFFFAOYSA-N 0 0 227.307 3.024 10 0 BGAERN Cc1cc(C)c2c(c1)[nH]c1c(c2=O)CCCC1 ZINC000042403982 387509040 /nfs/dbraw/zinc/50/90/40/387509040.db2.gz WRSJNUPPWPCMFD-UHFFFAOYSA-N 0 0 227.307 3.024 10 0 BGAERN Cc1ccc(C)c2c(=O)c3c([nH]c12)CCCC3 ZINC000042403992 358347455 /nfs/dbraw/zinc/34/74/55/358347455.db2.gz GSHVYQREEOXGCM-UHFFFAOYSA-N 0 0 227.307 3.024 10 0 BGAERN O=c1c2cccc(Cl)c2[nH]c2c1CCCC2 ZINC000042404005 343436502 /nfs/dbraw/zinc/43/65/02/343436502.db2.gz ZRAIXTUKQRXQBM-UHFFFAOYSA-N 0 0 233.698 3.060 10 0 BGAERN O[C@@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000042405579 183206818 /nfs/dbraw/zinc/20/68/18/183206818.db2.gz RHPGEEQCSPJUHX-MRXNPFEDSA-N 0 0 240.302 3.245 10 0 BGAERN O[C@H]1CCc2ccc(OCc3ccccc3)cc21 ZINC000042405581 183242492 /nfs/dbraw/zinc/24/24/92/183242492.db2.gz RHPGEEQCSPJUHX-INIZCTEOSA-N 0 0 240.302 3.245 10 0 BGAERN CCOC(=O)c1nc(-c2cccs2)cs1 ZINC000042407135 170307103 /nfs/dbraw/zinc/30/71/03/170307103.db2.gz LFUQSDQIGQHMJY-UHFFFAOYSA-N 0 0 239.321 3.048 10 0 BGAERN CC(C)Oc1c(Br)cccc1C=O ZINC000042412121 343436303 /nfs/dbraw/zinc/43/63/03/343436303.db2.gz AWVXYSZSKKLQBI-UHFFFAOYSA-N 0 0 243.100 3.049 10 0 BGAERN CCc1c(C)nc(CC(F)(F)F)nc1Cl ZINC000042413124 398014876 /nfs/dbraw/zinc/01/48/76/398014876.db2.gz YAAFOEZDNGMWJU-UHFFFAOYSA-N 0 0 238.640 3.106 10 0 BGAERN Cc1cccc(C(=O)CC(F)(F)F)c1 ZINC000042413139 398015132 /nfs/dbraw/zinc/01/51/32/398015132.db2.gz GSBUKFGBVDDKGJ-UHFFFAOYSA-N 0 0 202.175 3.130 10 0 BGAERN Cc1ccccc1C(=O)CC(F)(F)F ZINC000042413145 398014980 /nfs/dbraw/zinc/01/49/80/398014980.db2.gz QDEXBDAKFALNKG-UHFFFAOYSA-N 0 0 202.175 3.130 10 0 BGAERN Cc1cc(C)cc(C(=O)CC(F)(F)F)c1 ZINC000042413148 398015047 /nfs/dbraw/zinc/01/50/47/398015047.db2.gz VJORAKZRPTYGGV-UHFFFAOYSA-N 0 0 216.202 3.439 10 0 BGAERN O=C(CC(F)(F)F)c1ccccc1Cl ZINC000042413152 398014994 /nfs/dbraw/zinc/01/49/94/398014994.db2.gz DNOZCRODJTWITQ-UHFFFAOYSA-N 0 0 222.593 3.475 10 0 BGAERN O[C@H](CC(F)(F)F)c1ccccc1Cl ZINC000042413166 343436298 /nfs/dbraw/zinc/43/62/98/343436298.db2.gz FCNPRLVUDXRPFB-MRVPVSSYSA-N 0 0 224.609 3.326 10 0 BGAERN O[C@@H](CC(F)(F)F)c1ccccc1Cl ZINC000042413167 398014801 /nfs/dbraw/zinc/01/48/01/398014801.db2.gz FCNPRLVUDXRPFB-QMMMGPOBSA-N 0 0 224.609 3.326 10 0 BGAERN Cc1nc(-c2ccc(N)cc2Cl)oc1C ZINC000042413501 179864850 /nfs/dbraw/zinc/86/48/50/179864850.db2.gz CZTOCSBABPKPET-UHFFFAOYSA-N 0 0 222.675 3.194 10 0 BGAERN Cc1nc(-c2ccc(Cl)cc2N)oc1C ZINC000042413503 179863623 /nfs/dbraw/zinc/86/36/23/179863623.db2.gz JFQDXZXQINUGGR-UHFFFAOYSA-N 0 0 222.675 3.194 10 0 BGAERN CCc1oc(-c2ccc(N)cc2Cl)nc1C ZINC000042413513 172108532 /nfs/dbraw/zinc/10/85/32/172108532.db2.gz KFDYBNPIJMVYBA-UHFFFAOYSA-N 0 0 236.702 3.448 10 0 BGAERN CCc1oc(-c2ccc(Cl)cc2N)nc1C ZINC000042413515 172108481 /nfs/dbraw/zinc/10/84/81/172108481.db2.gz NZAXGRSXEZGNPC-UHFFFAOYSA-N 0 0 236.702 3.448 10 0 BGAERN CCc1oc(-c2ccc(C)c(N)c2)nc1C ZINC000042413516 172107987 /nfs/dbraw/zinc/10/79/87/172107987.db2.gz SSSWULLJVDLHFN-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CCc1oc(-c2cccc(C)c2N)nc1C ZINC000042413517 172108695 /nfs/dbraw/zinc/10/86/95/172108695.db2.gz UYDAGONJNWQMRT-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CCc1oc(-c2c(C)cccc2N)nc1C ZINC000042413518 172107930 /nfs/dbraw/zinc/10/79/30/172107930.db2.gz MGTOCFYPCJSGIJ-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CCc1oc(-c2ccc(N)c(C)c2)nc1C ZINC000042413519 172108377 /nfs/dbraw/zinc/10/83/77/172108377.db2.gz HBTLTDTUPBXHIJ-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CCc1oc(-c2cccc(N)c2C)nc1C ZINC000042413520 172108547 /nfs/dbraw/zinc/10/85/47/172108547.db2.gz YAOVMUMXRBNRGP-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CCc1oc(-c2cc(N)ccc2C)nc1C ZINC000042413524 172108198 /nfs/dbraw/zinc/10/81/98/172108198.db2.gz CLTDYIRMQLHPTA-UHFFFAOYSA-N 0 0 216.284 3.103 10 0 BGAERN CC(C)(C)c1cnc(-c2ccccc2N)o1 ZINC000042413525 188120083 /nfs/dbraw/zinc/12/00/83/188120083.db2.gz UYNSMINKJKVZGV-UHFFFAOYSA-N 0 0 216.284 3.221 10 0 BGAERN CC(C)(C)c1cnc(-c2cccc(N)c2)o1 ZINC000042413534 187265933 /nfs/dbraw/zinc/26/59/33/187265933.db2.gz RSOGURMEJIQDTH-UHFFFAOYSA-N 0 0 216.284 3.221 10 0 BGAERN Nc1oncc1-c1ccc(Cl)cc1Cl ZINC000042413668 181819374 /nfs/dbraw/zinc/81/93/74/181819374.db2.gz GPYDAVDKVQIKCH-UHFFFAOYSA-N 0 0 229.066 3.231 10 0 BGAERN Clc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000042415090 361998920 /nfs/dbraw/zinc/99/89/20/361998920.db2.gz NBUFLEDBFBYUGJ-UHFFFAOYSA-N 0 0 213.067 3.384 10 0 BGAERN Clc1c[nH]nc1-c1ccccc1Cl ZINC000042415091 361998474 /nfs/dbraw/zinc/99/84/74/361998474.db2.gz WCJFZHFULFWVBF-UHFFFAOYSA-N 0 0 213.067 3.384 10 0 BGAERN Fc1cccc(F)c1-c1n[nH]cc1Cl ZINC000042415093 361998988 /nfs/dbraw/zinc/99/89/88/361998988.db2.gz WPUQFCYJJWGAIZ-UHFFFAOYSA-N 0 0 214.602 3.008 10 0 BGAERN Clc1c[nH]nc1-c1cccc(Cl)c1 ZINC000042415105 361998612 /nfs/dbraw/zinc/99/86/12/361998612.db2.gz SWSPPGOEJHRWHO-UHFFFAOYSA-N 0 0 213.067 3.384 10 0 BGAERN Cc1ccc(-c2n[nH]cc2Cl)cc1C ZINC000042415106 361998577 /nfs/dbraw/zinc/99/85/77/361998577.db2.gz XVHRDYFVWKKEJT-UHFFFAOYSA-N 0 0 206.676 3.347 10 0 BGAERN Fc1ccc(-c2n[nH]cc2Cl)cc1F ZINC000042415120 361998484 /nfs/dbraw/zinc/99/84/84/361998484.db2.gz RWMWNKZTWYAHPY-UHFFFAOYSA-N 0 0 214.602 3.008 10 0 BGAERN Fc1ccc(-c2n[nH]cc2Cl)c(F)c1 ZINC000042415121 361999158 /nfs/dbraw/zinc/99/91/58/361999158.db2.gz NUZDXFLMSWVZAY-UHFFFAOYSA-N 0 0 214.602 3.008 10 0 BGAERN Cc1ccccc1-c1n[nH]cc1Br ZINC000042415158 361998594 /nfs/dbraw/zinc/99/85/94/361998594.db2.gz GKMKAYJSMRBPOY-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN Cc1cccc(-c2n[nH]cc2Br)c1 ZINC000042415173 361998868 /nfs/dbraw/zinc/99/88/68/361998868.db2.gz UIOZLGXDBNSTMZ-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN O[C@H]1CCCC[C@H]1Oc1ccc2c(c1)CCCC2 ZINC000042417536 183233470 /nfs/dbraw/zinc/23/34/70/183233470.db2.gz CZMWJQZDCHZYNW-JKSUJKDBSA-N 0 0 246.350 3.248 10 0 BGAERN O[C@H]1CCCC[C@@H]1Oc1ccc2c(c1)CCCC2 ZINC000042417537 183232755 /nfs/dbraw/zinc/23/27/55/183232755.db2.gz CZMWJQZDCHZYNW-HOTGVXAUSA-N 0 0 246.350 3.248 10 0 BGAERN O[C@@H]1CCCC[C@H]1Oc1ccc2c(c1)CCCC2 ZINC000042417538 183191994 /nfs/dbraw/zinc/19/19/94/183191994.db2.gz CZMWJQZDCHZYNW-HZPDHXFCSA-N 0 0 246.350 3.248 10 0 BGAERN O[C@@H]1CCCC[C@@H]1Oc1ccc2c(c1)CCCC2 ZINC000042417539 183189548 /nfs/dbraw/zinc/18/95/48/183189548.db2.gz CZMWJQZDCHZYNW-CVEARBPZSA-N 0 0 246.350 3.248 10 0 BGAERN C[C@H](O)c1ccc(N(C)Cc2ccoc2)c(F)c1 ZINC000042448471 177017402 /nfs/dbraw/zinc/01/74/02/177017402.db2.gz RAMHYWDEZRNWGB-JTQLQIEISA-N 0 0 249.285 3.108 10 0 BGAERN CC(C)CCN(C)c1cccc(F)c1[C@H](C)O ZINC000042457373 166832881 /nfs/dbraw/zinc/83/28/81/166832881.db2.gz LPKARIIIFMECBE-NSHDSACASA-N 0 0 239.334 3.361 10 0 BGAERN CN(CC1CCCCC1)C(=O)c1ccc(O)cc1 ZINC000042495494 172659860 /nfs/dbraw/zinc/65/98/60/172659860.db2.gz YOINQNYATJSANO-UHFFFAOYSA-N 0 0 247.338 3.045 10 0 BGAERN C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(O)cc2)C1 ZINC000042495505 176140165 /nfs/dbraw/zinc/14/01/65/176140165.db2.gz PEGWWUBINHNDRM-YPMHNXCESA-N 0 0 247.338 3.043 10 0 BGAERN C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(O)cc2)C1 ZINC000042495508 176120342 /nfs/dbraw/zinc/12/03/42/176120342.db2.gz PEGWWUBINHNDRM-DGCLKSJQSA-N 0 0 247.338 3.043 10 0 BGAERN C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(O)cc2)C1 ZINC000042495510 177120861 /nfs/dbraw/zinc/12/08/61/177120861.db2.gz PEGWWUBINHNDRM-WCQYABFASA-N 0 0 247.338 3.043 10 0 BGAERN C[C@@H]1CCC[C@H](N(C)c2nsnc2Cl)C1 ZINC000042496359 362003365 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0 0 236.334 3.423 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1cccc(F)c1N ZINC000042603245 177081802 /nfs/dbraw/zinc/08/18/02/177081802.db2.gz VMSWWJVERNMJDT-JQWIXIFHSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1cccc(F)c1N ZINC000042603247 176086507 /nfs/dbraw/zinc/08/65/07/176086507.db2.gz VMSWWJVERNMJDT-ZYHUDNBSSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1cccc(F)c1N ZINC000042603248 177087089 /nfs/dbraw/zinc/08/70/89/177087089.db2.gz VMSWWJVERNMJDT-CMPLNLGQSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)c1cc(N)cc(F)c1 ZINC000042603261 176079220 /nfs/dbraw/zinc/07/92/20/176079220.db2.gz GJNJVHZBOMINHG-YGRLFVJLSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1cc(N)cc(F)c1 ZINC000042603263 177080557 /nfs/dbraw/zinc/08/05/57/177080557.db2.gz GJNJVHZBOMINHG-HZMBPMFUSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1cc(N)cc(F)c1 ZINC000042603264 176086036 /nfs/dbraw/zinc/08/60/36/176086036.db2.gz GJNJVHZBOMINHG-QMTHXVAHSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1cc(N)cc(F)c1 ZINC000042603266 177086757 /nfs/dbraw/zinc/08/67/57/177086757.db2.gz GJNJVHZBOMINHG-IINYFYTJSA-N 0 0 236.334 3.423 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1CO ZINC000042608641 176078712 /nfs/dbraw/zinc/07/87/12/176078712.db2.gz MOHHXCYOQNINQL-OCCSQVGLSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1ccccc1CO ZINC000042608642 177082195 /nfs/dbraw/zinc/08/21/95/177082195.db2.gz MOHHXCYOQNINQL-JSGCOSHPSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1ccccc1CO ZINC000042608643 176086093 /nfs/dbraw/zinc/08/60/93/176086093.db2.gz MOHHXCYOQNINQL-TZMCWYRMSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1ccccc1CO ZINC000042608644 177087460 /nfs/dbraw/zinc/08/74/60/177087460.db2.gz MOHHXCYOQNINQL-GXTWGEPZSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(CO)cc1 ZINC000042608649 176079174 /nfs/dbraw/zinc/07/91/74/176079174.db2.gz ZQABSRFHPPOVJN-DOMZBBRYSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(CO)cc1 ZINC000042608650 177082020 /nfs/dbraw/zinc/08/20/20/177082020.db2.gz ZQABSRFHPPOVJN-WFASDCNBSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(CO)cc1 ZINC000042608651 176086080 /nfs/dbraw/zinc/08/60/80/176086080.db2.gz ZQABSRFHPPOVJN-IUODEOHRSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1ccc(CO)cc1 ZINC000042608652 177087395 /nfs/dbraw/zinc/08/73/95/177087395.db2.gz ZQABSRFHPPOVJN-SWLSCSKDSA-N 0 0 233.355 3.194 10 0 BGAERN C[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)c1ccccc1 ZINC000042609047 176077746 /nfs/dbraw/zinc/07/77/46/176077746.db2.gz SHAMBZNQNFVPNE-HIFRSBDPSA-N 0 0 245.366 3.380 10 0 BGAERN C[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)c1ccccc1 ZINC000042609049 176085732 /nfs/dbraw/zinc/08/57/32/176085732.db2.gz SHAMBZNQNFVPNE-UKRRQHHQSA-N 0 0 245.366 3.380 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccc(O)cc1 ZINC000042610603 176077331 /nfs/dbraw/zinc/07/73/31/176077331.db2.gz ZAPHMZKVGQOTBP-RISCZKNCSA-N 0 0 247.338 3.043 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(O)cc1 ZINC000042610605 176085781 /nfs/dbraw/zinc/08/57/81/176085781.db2.gz ZAPHMZKVGQOTBP-BXUZGUMPSA-N 0 0 247.338 3.043 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccc(O)cc1 ZINC000042610606 177087495 /nfs/dbraw/zinc/08/74/95/177087495.db2.gz ZAPHMZKVGQOTBP-SMDDNHRTSA-N 0 0 247.338 3.043 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)c1nsnc1Cl ZINC000042612851 343445453 /nfs/dbraw/zinc/44/54/53/343445453.db2.gz ZCEKJVCRLBIVQR-SFYZADRCSA-N 0 0 245.779 3.206 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1nsnc1Cl ZINC000042612853 374278060 /nfs/dbraw/zinc/27/80/60/374278060.db2.gz ZCEKJVCRLBIVQR-YUMQZZPRSA-N 0 0 245.779 3.206 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1nsnc1Cl ZINC000042612854 374277799 /nfs/dbraw/zinc/27/77/99/374277799.db2.gz ZCEKJVCRLBIVQR-HTQZYQBOSA-N 0 0 245.779 3.206 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1nsnc1Cl ZINC000042612856 374278340 /nfs/dbraw/zinc/27/83/40/374278340.db2.gz ZCEKJVCRLBIVQR-JGVFFNPUSA-N 0 0 245.779 3.206 10 0 BGAERN CCCC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000042655125 323252908 /nfs/dbraw/zinc/25/29/08/323252908.db2.gz RONMLHVQLGJJKO-UHFFFAOYSA-N 0 0 237.265 3.024 10 0 BGAERN C[C@H](NC(=O)c1cccs1)c1cccc(F)c1 ZINC000042673276 176820742 /nfs/dbraw/zinc/82/07/42/176820742.db2.gz DQAVUNXEPBQFGE-VIFPVBQESA-N 0 0 249.310 3.378 10 0 BGAERN C[C@@H](NC(=O)c1cccs1)c1cccc(F)c1 ZINC000042673277 384233120 /nfs/dbraw/zinc/23/31/20/384233120.db2.gz DQAVUNXEPBQFGE-SECBINFHSA-N 0 0 249.310 3.378 10 0 BGAERN CCC(CC)N(CCOC)c1ccccc1C=O ZINC000042680178 168376443 /nfs/dbraw/zinc/37/64/43/168376443.db2.gz USQQVZSEAATXRQ-UHFFFAOYSA-N 0 0 249.354 3.141 10 0 BGAERN CCC(CC)N(CCOC)c1ccc(C=O)cc1 ZINC000042680180 168376168 /nfs/dbraw/zinc/37/61/68/168376168.db2.gz HNKUHWRWHRYQTA-UHFFFAOYSA-N 0 0 249.354 3.141 10 0 BGAERN Fc1ccc2[nH]cc(Br)c2c1 ZINC000042684396 343447671 /nfs/dbraw/zinc/44/76/71/343447671.db2.gz YXFQNEUIXLDSEZ-UHFFFAOYSA-N 0 0 214.037 3.070 10 0 BGAERN Cc1nc2[nH]cc(Br)c2cc1Cl ZINC000042689454 180060628 /nfs/dbraw/zinc/06/06/28/180060628.db2.gz OGNATGJYATUIKC-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Nc1cc(F)ccc1N(Cc1ccco1)C1CC1 ZINC000042692931 181686517 /nfs/dbraw/zinc/68/65/17/181686517.db2.gz MJTOEEGZWAKZFW-UHFFFAOYSA-N 0 0 246.285 3.170 10 0 BGAERN Nc1c(F)cccc1N(Cc1ccco1)C1CC1 ZINC000042692968 181670098 /nfs/dbraw/zinc/67/00/98/181670098.db2.gz YOERAPSXHFVWFG-UHFFFAOYSA-N 0 0 246.285 3.170 10 0 BGAERN Nc1cc(F)cc(N(Cc2ccco2)C2CC2)c1 ZINC000042692970 181686181 /nfs/dbraw/zinc/68/61/81/181686181.db2.gz SEAVMRAXVDDRCY-UHFFFAOYSA-N 0 0 246.285 3.170 10 0 BGAERN Cc1ccsc1C(=O)c1ccccc1F ZINC000042728530 374283981 /nfs/dbraw/zinc/28/39/81/374283981.db2.gz WAJQERJNOIPOAK-UHFFFAOYSA-N 0 0 220.268 3.427 10 0 BGAERN Cc1ccsc1C(=O)CC(F)(F)F ZINC000042728575 362020921 /nfs/dbraw/zinc/02/09/21/362020921.db2.gz HTCCFBYREFTORS-UHFFFAOYSA-N 0 0 208.204 3.192 10 0 BGAERN Cc1ccsc1C(=O)[C@H]1Cc2ccccc2O1 ZINC000042728606 179539011 /nfs/dbraw/zinc/53/90/11/179539011.db2.gz NWUMAIJSDBESPK-GFCCVEGCSA-N 0 0 244.315 3.243 10 0 BGAERN Cc1ccsc1C(=O)c1ccsc1 ZINC000042728656 362020709 /nfs/dbraw/zinc/02/07/09/362020709.db2.gz IMCPURNVRBXHFF-UHFFFAOYSA-N 0 0 208.307 3.349 10 0 BGAERN Cc1ccoc1C(=O)c1sccc1C ZINC000042728659 362021002 /nfs/dbraw/zinc/02/10/02/362021002.db2.gz GEQZDOSPWMNSIG-UHFFFAOYSA-N 0 0 206.266 3.189 10 0 BGAERN Cc1cc(C(=O)c2sccc2C)c(C)o1 ZINC000042728666 362021057 /nfs/dbraw/zinc/02/10/57/362021057.db2.gz BCBWBBCLIZZGHZ-UHFFFAOYSA-N 0 0 220.293 3.497 10 0 BGAERN Cc1ccsc1-c1nc(N)sc1C ZINC000042730763 374284356 /nfs/dbraw/zinc/28/43/56/374284356.db2.gz JVUHLRDSDFSIOQ-UHFFFAOYSA-N 0 0 210.327 3.071 10 0 BGAERN COc1ccccc1C[C@@H](O)c1sccc1C ZINC000042730970 175332485 /nfs/dbraw/zinc/33/24/85/175332485.db2.gz BNWZDXIKMLCPEP-GFCCVEGCSA-N 0 0 248.347 3.341 10 0 BGAERN COc1ccccc1C[C@H](O)c1sccc1C ZINC000042730973 175333878 /nfs/dbraw/zinc/33/38/78/175333878.db2.gz BNWZDXIKMLCPEP-LBPRGKRZSA-N 0 0 248.347 3.341 10 0 BGAERN Cc1ccsc1[C@H](O)c1ccoc1C ZINC000042731089 374285883 /nfs/dbraw/zinc/28/58/83/374285883.db2.gz IOVPVDUJYZHSCI-SNVBAGLBSA-N 0 0 208.282 3.040 10 0 BGAERN Cc1ccsc1[C@@H](O)c1ccoc1C ZINC000042731091 374285668 /nfs/dbraw/zinc/28/56/68/374285668.db2.gz IOVPVDUJYZHSCI-JTQLQIEISA-N 0 0 208.282 3.040 10 0 BGAERN COc1cccc(C[C@@H](O)c2sccc2C)c1 ZINC000042731266 175271961 /nfs/dbraw/zinc/27/19/61/175271961.db2.gz UVNJBFYFVYDGPU-CYBMUJFWSA-N 0 0 248.347 3.341 10 0 BGAERN COc1cccc(C[C@H](O)c2sccc2C)c1 ZINC000042731268 175272204 /nfs/dbraw/zinc/27/22/04/175272204.db2.gz UVNJBFYFVYDGPU-ZDUSSCGKSA-N 0 0 248.347 3.341 10 0 BGAERN Cc1ccsc1[C@H](O)[C@H]1Cc2ccccc2O1 ZINC000042731338 179555717 /nfs/dbraw/zinc/55/57/17/179555717.db2.gz XXRZDHNSPWWVLI-CHWSQXEVSA-N 0 0 246.331 3.094 10 0 BGAERN Cc1ccsc1[C@@H](O)[C@H]1Cc2ccccc2O1 ZINC000042731341 179553505 /nfs/dbraw/zinc/55/35/05/179553505.db2.gz XXRZDHNSPWWVLI-OLZOCXBDSA-N 0 0 246.331 3.094 10 0 BGAERN COc1cc([C@H](O)c2sccc2C)ccc1C ZINC000042731348 175016543 /nfs/dbraw/zinc/01/65/43/175016543.db2.gz XRMQALRURCNCEB-ZDUSSCGKSA-N 0 0 248.347 3.455 10 0 BGAERN COc1cc([C@@H](O)c2sccc2C)ccc1C ZINC000042731351 175014908 /nfs/dbraw/zinc/01/49/08/175014908.db2.gz XRMQALRURCNCEB-CYBMUJFWSA-N 0 0 248.347 3.455 10 0 BGAERN COc1ccc(C[C@H](O)c2sccc2C)cc1 ZINC000042731371 188120922 /nfs/dbraw/zinc/12/09/22/188120922.db2.gz XBGHITVCTITIBJ-ZDUSSCGKSA-N 0 0 248.347 3.341 10 0 BGAERN Cc1ccsc1[C@H](O)CC(F)(F)F ZINC000042731448 374285935 /nfs/dbraw/zinc/28/59/35/374285935.db2.gz NOVISNDBXZBOMM-ZCFIWIBFSA-N 0 0 210.220 3.042 10 0 BGAERN Cc1ccsc1[C@@H](O)CC(F)(F)F ZINC000042731450 374285687 /nfs/dbraw/zinc/28/56/87/374285687.db2.gz NOVISNDBXZBOMM-LURJTMIESA-N 0 0 210.220 3.042 10 0 BGAERN C[C@@H]1c2ccsc2CCN1c1cccc(N)c1 ZINC000042740642 132352681 /nfs/dbraw/zinc/35/26/81/132352681.db2.gz VNCAOHMABDHYNX-SNVBAGLBSA-N 0 0 244.363 3.454 10 0 BGAERN C[C@H]1c2ccsc2CCN1c1cccc(N)c1 ZINC000042740645 132352614 /nfs/dbraw/zinc/35/26/14/132352614.db2.gz VNCAOHMABDHYNX-JTQLQIEISA-N 0 0 244.363 3.454 10 0 BGAERN Cc1cc(N)ccc1N(CC(F)(F)F)C1CC1 ZINC000042740972 178104869 /nfs/dbraw/zinc/10/48/69/178104869.db2.gz DBICNHZADRMNGE-UHFFFAOYSA-N 0 0 244.260 3.108 10 0 BGAERN Cc1ccc(N(CC(F)(F)F)C2CC2)c(N)c1 ZINC000042740976 178701424 /nfs/dbraw/zinc/70/14/24/178701424.db2.gz PXHNEOGLKVISMX-UHFFFAOYSA-N 0 0 244.260 3.108 10 0 BGAERN Cc1cc(N(CC(F)(F)F)C2CC2)ccc1N ZINC000042740992 178101433 /nfs/dbraw/zinc/10/14/33/178101433.db2.gz CZFQKGACEBUJSM-UHFFFAOYSA-N 0 0 244.260 3.108 10 0 BGAERN CCCN(CC(F)(F)F)c1ccc(N)cc1C ZINC000042741202 169107932 /nfs/dbraw/zinc/10/79/32/169107932.db2.gz ZKVHWKCZLHIUEA-UHFFFAOYSA-N 0 0 246.276 3.356 10 0 BGAERN CCCN(CC(F)(F)F)c1ccc(C)cc1N ZINC000042741206 169107487 /nfs/dbraw/zinc/10/74/87/169107487.db2.gz YRRAHHOMIKCYJL-UHFFFAOYSA-N 0 0 246.276 3.356 10 0 BGAERN CCCN(CC(F)(F)F)c1ccc(N)c(C)c1 ZINC000042741222 169107793 /nfs/dbraw/zinc/10/77/93/169107793.db2.gz JGARUZDRUNWFJT-UHFFFAOYSA-N 0 0 246.276 3.356 10 0 BGAERN Cc1cc(N)ccc1N(CC(F)(F)F)C(C)C ZINC000042741453 178105086 /nfs/dbraw/zinc/10/50/86/178105086.db2.gz QVEQAHFTGXTHDP-UHFFFAOYSA-N 0 0 246.276 3.354 10 0 BGAERN Cc1ccc(N(CC(F)(F)F)C(C)C)c(N)c1 ZINC000042741456 178701133 /nfs/dbraw/zinc/70/11/33/178701133.db2.gz RPMYCWMDDMXMNV-UHFFFAOYSA-N 0 0 246.276 3.354 10 0 BGAERN Cc1cc(N(CC(F)(F)F)C(C)C)ccc1N ZINC000042741479 178101891 /nfs/dbraw/zinc/10/18/91/178101891.db2.gz XECQAVJTXBPHHD-UHFFFAOYSA-N 0 0 246.276 3.354 10 0 BGAERN Brc1ccc(C2CCC2)cn1 ZINC000042750182 166097174 /nfs/dbraw/zinc/09/71/74/166097174.db2.gz HOAWXKTYMIYDQD-UHFFFAOYSA-N 0 0 212.090 3.112 10 0 BGAERN Cc1cc2cccc(Br)c2n1C ZINC000042750798 178297744 /nfs/dbraw/zinc/29/77/44/178297744.db2.gz ZBGRTVIIKMKLKC-UHFFFAOYSA-N 0 0 224.101 3.249 10 0 BGAERN CCCN(CC(F)(F)F)c1ccccc1C=O ZINC000042770380 169106772 /nfs/dbraw/zinc/10/67/72/169106772.db2.gz FURUFULNWGCHGN-UHFFFAOYSA-N 0 0 245.244 3.278 10 0 BGAERN CCCN(CC(F)(F)F)c1ccc(C=O)cc1 ZINC000042770388 169107151 /nfs/dbraw/zinc/10/71/51/169107151.db2.gz XFQPOPWPBKHQJT-UHFFFAOYSA-N 0 0 245.244 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Cc1cccc(O[C@H](C[NH3+])c2cccc(F)c2)c1 ZINC000042973524 179174295 /nfs/dbraw/zinc/17/42/95/179174295.db2.gz KRPVUKCCZGODCI-OAHLLOKOSA-N 0 0 245.297 3.213 10 0 BGAERN CC[C@H](C)[C@H]1Nc2cc(Cl)ccc2NC1=O ZINC000043066852 171406485 /nfs/dbraw/zinc/40/64/85/171406485.db2.gz PRGHPGHBOZRTJO-WRWORJQWSA-N 0 0 238.718 3.119 10 0 BGAERN CC[C@H](C)[C@@H]1Nc2cc(Cl)ccc2NC1=O ZINC000043066859 171381762 /nfs/dbraw/zinc/38/17/62/171381762.db2.gz PRGHPGHBOZRTJO-CPCISQLKSA-N 0 0 238.718 3.119 10 0 BGAERN O=C(CC(F)(F)F)N1CCC[C@@H]2CCCC[C@H]21 ZINC000043072536 343463168 /nfs/dbraw/zinc/46/31/68/343463168.db2.gz QAQBQBGLDMKQQS-VHSXEESVSA-N 0 0 249.276 3.120 10 0 BGAERN O=C(CC(F)(F)F)N1CCC[C@H]2CCCC[C@H]21 ZINC000043072544 342773618 /nfs/dbraw/zinc/77/36/18/342773618.db2.gz QAQBQBGLDMKQQS-NXEZZACHSA-N 0 0 249.276 3.120 10 0 BGAERN O=C(CC(F)(F)F)N1CCC[C@H]2CCCC[C@@H]21 ZINC000043072548 343462869 /nfs/dbraw/zinc/46/28/69/343462869.db2.gz QAQBQBGLDMKQQS-ZJUUUORDSA-N 0 0 249.276 3.120 10 0 BGAERN c1cn(Cc2ccccc2)c2cccnc12 ZINC000043079815 183412746 /nfs/dbraw/zinc/41/27/46/183412746.db2.gz LOGFFHFLSCMKJF-UHFFFAOYSA-N 0 0 208.264 3.085 10 0 in-vivo BGAERN CC(C)(C)O[C@H](C[NH3+])c1ccccc1Cl ZINC000043088148 188151902 /nfs/dbraw/zinc/15/19/02/188151902.db2.gz LZOHDMZGAHESJA-LLVKDONJSA-N 0 0 227.735 3.155 10 0 BGAERN Cc1cccc(O[C@H](C[NH3+])c2ccsc2)c1 ZINC000043124593 179174530 /nfs/dbraw/zinc/17/45/30/179174530.db2.gz RYHBSQTYORERIR-CYBMUJFWSA-N 0 0 233.336 3.135 10 0 BGAERN Cc1cc(F)cc2sc(Cl)nc21 ZINC000043220504 342790884 /nfs/dbraw/zinc/79/08/84/342790884.db2.gz FWJLKABVGUDDDW-UHFFFAOYSA-N 0 0 201.653 3.397 10 0 BGAERN Fc1ccc2[nH]nc(Br)c2c1Cl ZINC000043220612 342791222 /nfs/dbraw/zinc/79/12/22/342791222.db2.gz UDIGLCKZOQLKBH-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN Cc1c(O)cc(Cl)cc1Br ZINC000043220636 342791204 /nfs/dbraw/zinc/79/12/04/342791204.db2.gz SZTOIROWIFCPRY-UHFFFAOYSA-N 0 0 221.481 3.117 10 0 BGAERN CCOC(=O)Nc1cc2cc(F)cc(F)c2[nH]1 ZINC000043220670 342791288 /nfs/dbraw/zinc/79/12/88/342791288.db2.gz PPXOMYYYBGLVRU-UHFFFAOYSA-N 0 0 240.209 3.015 10 0 BGAERN Cc1c2[nH]ccc2c(Br)cc1F ZINC000043220680 342791095 /nfs/dbraw/zinc/79/10/95/342791095.db2.gz APJWRMDDRQDBDX-UHFFFAOYSA-N 0 0 228.064 3.378 10 0 BGAERN COc1cc(Br)c2cc[nH]c2c1C ZINC000043220683 342791296 /nfs/dbraw/zinc/79/12/96/342791296.db2.gz WCPSPCHZYUMBGY-UHFFFAOYSA-N 0 0 240.100 3.247 10 0 BGAERN Cc1cccc(-c2nccc(Cl)n2)c1C ZINC000043314357 343048950 /nfs/dbraw/zinc/04/89/50/343048950.db2.gz AWKYAFVEPFGTKZ-UHFFFAOYSA-N 0 0 218.687 3.414 10 0 BGAERN Cc1cccc(-c2noc(Cl)n2)c1C ZINC000043314673 343467391 /nfs/dbraw/zinc/46/73/91/343467391.db2.gz JDWPECLXAATYML-UHFFFAOYSA-N 0 0 208.648 3.007 10 0 BGAERN Cc1cccc(-c2ncc(C=O)s2)c1C ZINC000043314787 343047583 /nfs/dbraw/zinc/04/75/83/343047583.db2.gz QYSGVSHHMXRMIC-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN Cc1cccc(-c2nc(C=O)cs2)c1C ZINC000043315056 343047772 /nfs/dbraw/zinc/04/77/72/343047772.db2.gz IWQCHZGWSMEURE-UHFFFAOYSA-N 0 0 217.293 3.239 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ZINC000043367784 343057497 /nfs/dbraw/zinc/05/74/97/343057497.db2.gz TXUIHLBKKNUGPW-IONNQARKSA-N 0 0 210.239 3.126 10 0 BGAERN CSc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000043367791 343057287 /nfs/dbraw/zinc/05/72/87/343057287.db2.gz QDILVMHUDQRYHF-QMMMGPOBSA-N 0 0 222.231 3.004 10 0 BGAERN CSc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000043367792 343057377 /nfs/dbraw/zinc/05/73/77/343057377.db2.gz QDILVMHUDQRYHF-MRVPVSSYSA-N 0 0 222.231 3.004 10 0 BGAERN O[C@@H](c1c(F)cccc1Cl)C(F)(F)F ZINC000043367912 343057452 /nfs/dbraw/zinc/05/74/52/343057452.db2.gz HAFNMYQVKGJDSZ-ZETCQYMHSA-N 0 0 228.572 3.075 10 0 BGAERN O[C@H](c1c(F)cccc1Cl)C(F)(F)F ZINC000043367913 343057400 /nfs/dbraw/zinc/05/74/00/343057400.db2.gz HAFNMYQVKGJDSZ-SSDOTTSWSA-N 0 0 228.572 3.075 10 0 BGAERN C[C@@](O)(c1ccccc1Cl)C(F)(F)F ZINC000043368126 343057303 /nfs/dbraw/zinc/05/73/03/343057303.db2.gz GALSTCWDBAVYNH-MRVPVSSYSA-N 0 0 224.609 3.110 10 0 BGAERN C[C@](O)(c1ccccc1Cl)C(F)(F)F ZINC000043368127 343057369 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/nfs/dbraw/zinc/06/16/66/343061666.db2.gz NGGSFKGNZMVWRD-UHFFFAOYSA-N 0 0 241.674 3.415 10 0 BGAERN Cc1cc(C)cc(-c2nccc(Cl)n2)c1 ZINC000043393003 343062780 /nfs/dbraw/zinc/06/27/80/343062780.db2.gz AMXNWSZFSQXWFJ-UHFFFAOYSA-N 0 0 218.687 3.414 10 0 BGAERN Cc1cc(C)cc(-c2ncc(C=O)s2)c1 ZINC000043393075 343469966 /nfs/dbraw/zinc/46/99/66/343469966.db2.gz DJFKPYNJRBWDKN-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN Cc1ccccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432280 343069408 /nfs/dbraw/zinc/06/94/08/343069408.db2.gz LDUIUAXDIHIRNF-OCCSQVGLSA-N 0 0 249.354 3.145 10 0 BGAERN Cc1ccccc1[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000043432282 343069564 /nfs/dbraw/zinc/06/95/64/343069564.db2.gz LDUIUAXDIHIRNF-JSGCOSHPSA-N 0 0 249.354 3.145 10 0 BGAERN Cc1ccccc1[C@@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432283 343069447 /nfs/dbraw/zinc/06/94/47/343069447.db2.gz LDUIUAXDIHIRNF-TZMCWYRMSA-N 0 0 249.354 3.145 10 0 BGAERN Cc1ccccc1[C@H](C)[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000043432285 343069727 /nfs/dbraw/zinc/06/97/27/343069727.db2.gz LDUIUAXDIHIRNF-GXTWGEPZSA-N 0 0 249.354 3.145 10 0 BGAERN CC(C)(C)CC(C)(C)n1cn[nH]c1=S ZINC000043436421 343068748 /nfs/dbraw/zinc/06/87/48/343068748.db2.gz PGZJFSWKTLQAEU-UHFFFAOYSA-N 0 0 213.350 3.112 10 0 BGAERN OCCCCNc1cc(Cl)ccc1Cl ZINC000043445280 183052490 /nfs/dbraw/zinc/05/24/90/183052490.db2.gz NGIQAHWUSMQMIE-UHFFFAOYSA-N 0 0 234.126 3.178 10 0 BGAERN CC(C)(C)c1ccc(NCCCCO)cc1 ZINC000043445303 188122052 /nfs/dbraw/zinc/12/20/52/188122052.db2.gz CYPBGIMSGXXOHO-UHFFFAOYSA-N 0 0 221.344 3.169 10 0 BGAERN OCCCCNc1ccc(Cl)cc1Cl ZINC000043445306 183052520 /nfs/dbraw/zinc/05/25/20/183052520.db2.gz NDMGMPLREZLKOF-UHFFFAOYSA-N 0 0 234.126 3.178 10 0 BGAERN OCCCCNc1cc(Cl)cc(Cl)c1 ZINC000043445333 183053005 /nfs/dbraw/zinc/05/30/05/183053005.db2.gz KEYGNFCCTRNABI-UHFFFAOYSA-N 0 0 234.126 3.178 10 0 BGAERN OCCCCNc1ccc(Cl)c(Cl)c1 ZINC000043445346 183053163 /nfs/dbraw/zinc/05/31/63/183053163.db2.gz GQWHPRQUWZPJKW-UHFFFAOYSA-N 0 0 234.126 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364738872 /nfs/dbraw/zinc/73/88/72/364738872.db2.gz VJTSEEOSDOOKNR-UHFFFAOYSA-N 0 0 238.371 3.458 10 0 BGAERN CCOC(OCC)c1ccc(Cl)cc1OC ZINC000043502663 343098471 /nfs/dbraw/zinc/09/84/71/343098471.db2.gz HARWMOGMVKPJEI-UHFFFAOYSA-N 0 0 244.718 3.420 10 0 BGAERN CCOC(OCC)c1ccc(Cl)c(OC)c1 ZINC000043502665 343098334 /nfs/dbraw/zinc/09/83/34/343098334.db2.gz NICKYOUGDTYMHH-UHFFFAOYSA-N 0 0 244.718 3.420 10 0 BGAERN CCOC(OCC)c1cc(Cl)ccc1OC ZINC000043502667 343098305 /nfs/dbraw/zinc/09/83/05/343098305.db2.gz GKAUDERVTGPWEK-UHFFFAOYSA-N 0 0 244.718 3.420 10 0 BGAERN CCOC(OCC)c1cccc(Cl)c1 ZINC000043502691 343098346 /nfs/dbraw/zinc/09/83/46/343098346.db2.gz IPWGRCJRBKVSHW-UHFFFAOYSA-N 0 0 214.692 3.412 10 0 BGAERN CCOC(Cc1ccccc1Cl)OCC ZINC000043502760 343098360 /nfs/dbraw/zinc/09/83/60/343098360.db2.gz HMLMJBBEPKGVHS-UHFFFAOYSA-N 0 0 228.719 3.282 10 0 BGAERN CCOC(Cc1cc(F)ccc1Cl)OCC ZINC000043502774 364741993 /nfs/dbraw/zinc/74/19/93/364741993.db2.gz VLGZUZMIBTYNCC-UHFFFAOYSA-N 0 0 246.709 3.421 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/nfs/dbraw/zinc/01/74/15/167017415.db2.gz BFTCHAFMGKHZAO-UHFFFAOYSA-N 0 0 243.148 3.099 10 0 BGAERN CCSc1ccc(N)cc1Br ZINC000043597871 343478645 /nfs/dbraw/zinc/47/86/45/343478645.db2.gz GLTNSERPQKVAQI-UHFFFAOYSA-N 0 0 232.146 3.143 10 0 BGAERN CCCC[C@@H]([NH3+])c1nc2c(cccc2C)[nH]1 ZINC000043598523 343478596 /nfs/dbraw/zinc/47/85/96/343478596.db2.gz MBYBLTWLXDCZDM-SNVBAGLBSA-N 0 0 217.316 3.061 10 0 BGAERN Cc1cccc2[nH]c(-c3ccccc3O)nc21 ZINC000043598738 358383611 /nfs/dbraw/zinc/38/36/11/358383611.db2.gz ONQKGCDSKLSADX-UHFFFAOYSA-N 0 0 224.263 3.244 10 0 BGAERN O=C(c1ccco1)c1ccccc1Cl ZINC000043606542 343263852 /nfs/dbraw/zinc/26/38/52/343263852.db2.gz SMKFIBDYMRDIRD-UHFFFAOYSA-N 0 0 206.628 3.164 10 0 BGAERN O=C(c1ccco1)c1ccc(F)cc1Cl ZINC000043606580 343263874 /nfs/dbraw/zinc/26/38/74/343263874.db2.gz AGFFAJCIWVBWAS-UHFFFAOYSA-N 0 0 224.618 3.303 10 0 BGAERN O=C(c1ccco1)c1c(F)cccc1Cl ZINC000043606625 343263683 /nfs/dbraw/zinc/26/36/83/343263683.db2.gz GLQGZRLZGJDASY-UHFFFAOYSA-N 0 0 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Brc1cnc(OC2CCCC2)s1 ZINC000044117016 166105004 /nfs/dbraw/zinc/10/50/04/166105004.db2.gz PEXUEFWTPQJRAJ-UHFFFAOYSA-N 0 0 248.145 3.227 10 0 BGAERN Brc1ccnc(C2CCCCC2)n1 ZINC000044117066 166102496 /nfs/dbraw/zinc/10/24/96/166102496.db2.gz WRWPJKNSWZMAAA-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN CC(C)(C)c1ncc(Br)s1 ZINC000044117219 188123245 /nfs/dbraw/zinc/12/32/45/188123245.db2.gz ZODTWXIHGGSFSN-UHFFFAOYSA-N 0 0 220.135 3.203 10 0 BGAERN Brc1cnc(C2CCCCC2)cn1 ZINC000044117321 166105098 /nfs/dbraw/zinc/10/50/98/166105098.db2.gz XZYGBNRTTXLPBN-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN Cc1ccccc1-c1cnc(Br)cn1 ZINC000044117401 179236633 /nfs/dbraw/zinc/23/66/33/179236633.db2.gz SEWXZYKQNKPJFG-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN CC(C)(C)c1nc(Br)cs1 ZINC000044117813 344395441 /nfs/dbraw/zinc/39/54/41/344395441.db2.gz MBCNEXNLPXCWIP-UHFFFAOYSA-N 0 0 220.135 3.203 10 0 BGAERN Brc1ccc(C2CCCCC2)nn1 ZINC000044118114 166097145 /nfs/dbraw/zinc/09/71/45/166097145.db2.gz XSJLQSNHGXWIGD-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN Cc1cccc(-c2ccc(Br)nn2)c1 ZINC000044118141 178993446 /nfs/dbraw/zinc/99/34/46/178993446.db2.gz ICSQUHVPCOFDPP-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Cc1ccccc1-c1ccc(Br)nn1 ZINC000044118149 179235231 /nfs/dbraw/zinc/23/52/31/179235231.db2.gz DOVLHXZKIQWUED-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN CC(C)(C)Oc1ccnc(Br)c1 ZINC000044118274 384313553 /nfs/dbraw/zinc/31/35/53/384313553.db2.gz RDPZXZISRGBKME-UHFFFAOYSA-N 0 0 230.105 3.021 10 0 BGAERN Brc1ccnc(-c2ccoc2)c1 ZINC000044118371 166103087 /nfs/dbraw/zinc/10/30/87/166103087.db2.gz OFCWLDRXJQROEJ-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1cc(OC2CCCC2)ccn1 ZINC000044118712 166095515 /nfs/dbraw/zinc/09/55/15/166095515.db2.gz GSQBNUAGQWGAGT-UHFFFAOYSA-N 0 0 242.116 3.166 10 0 BGAERN Brc1csc(-c2ccco2)n1 ZINC000044118834 166106103 /nfs/dbraw/zinc/10/61/03/166106103.db2.gz UQJJOHKDVFHBKL-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1cccc(-c2ccco2)n1 ZINC000044118860 166100051 /nfs/dbraw/zinc/10/00/51/166100051.db2.gz KZZUWLBYMNBGMY-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1ccnc(-c2ccco2)c1 ZINC000044118876 166103580 /nfs/dbraw/zinc/10/35/80/166103580.db2.gz QDLSLSQYCSDNKE-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1cc(-c2ccco2)ccn1 ZINC000044118887 166096072 /nfs/dbraw/zinc/09/60/72/166096072.db2.gz VUUMSDIHERYTOC-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1csc(C2CCC2)n1 ZINC000044118909 166106812 /nfs/dbraw/zinc/10/68/12/166106812.db2.gz WXACGZAEVISNOS-UHFFFAOYSA-N 0 0 218.119 3.173 10 0 BGAERN Brc1cccc(C2CCC2)n1 ZINC000044118920 166102021 /nfs/dbraw/zinc/10/20/21/166102021.db2.gz LWDQQQQGAOBPLG-UHFFFAOYSA-N 0 0 212.090 3.112 10 0 BGAERN Brc1cc(C2CCC2)ccn1 ZINC000044118932 166095692 /nfs/dbraw/zinc/09/56/92/166095692.db2.gz JXHDGDJENXFWJV-UHFFFAOYSA-N 0 0 212.090 3.112 10 0 BGAERN Brc1cccc(-c2ccoc2)n1 ZINC000044118952 166102078 /nfs/dbraw/zinc/10/20/78/166102078.db2.gz REHXKFHOXHMPLZ-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1csc(-c2ccoc2)n1 ZINC000044118966 166106633 /nfs/dbraw/zinc/10/66/33/166106633.db2.gz SDFLDLWSOWQZPH-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN CC[C@@H](C)c1nc(Br)cs1 ZINC000044119139 386257484 /nfs/dbraw/zinc/25/74/84/386257484.db2.gz USRALFKXVNOLFI-RXMQYKEDSA-N 0 0 220.135 3.419 10 0 BGAERN CC[C@H](C)c1nc(Br)cs1 ZINC000044119143 384514213 /nfs/dbraw/zinc/51/42/13/384514213.db2.gz USRALFKXVNOLFI-YFKPBYRVSA-N 0 0 220.135 3.419 10 0 BGAERN Clc1cc(-c2cscn2)nc(C2CC2)n1 ZINC000044119361 180574945 /nfs/dbraw/zinc/57/49/45/180574945.db2.gz SCIGBDUQCLVLGW-UHFFFAOYSA-N 0 0 237.715 3.131 10 0 BGAERN Clc1cc(-c2cncs2)nc(C2CC2)n1 ZINC000044119382 180575015 /nfs/dbraw/zinc/57/50/15/180575015.db2.gz VTMOMPHARKDKAF-UHFFFAOYSA-N 0 0 237.715 3.131 10 0 BGAERN Cc1cc(-c2ccccc2C)nc(Cl)n1 ZINC000044119572 344396015 /nfs/dbraw/zinc/39/60/15/344396015.db2.gz ZSFZKBKPMRIINT-UHFFFAOYSA-N 0 0 218.687 3.414 10 0 BGAERN Brc1cnc(C2CCC2)s1 ZINC000044119602 166104293 /nfs/dbraw/zinc/10/42/93/166104293.db2.gz ITRRCDVGIJTNAS-UHFFFAOYSA-N 0 0 218.119 3.173 10 0 BGAERN Brc1cnc(-c2ccco2)s1 ZINC000044119782 166104706 /nfs/dbraw/zinc/10/47/06/166104706.db2.gz XOCDRAOEYABASJ-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1cnc(-c2ccoc2)s1 ZINC000044119804 166104792 /nfs/dbraw/zinc/10/47/92/166104792.db2.gz DDFPFBNBVNRGRI-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Nc1csc(-c2ccccc2C(F)(F)F)n1 ZINC000044119830 181773670 /nfs/dbraw/zinc/77/36/70/181773670.db2.gz LHUMQBFJLDOSOK-UHFFFAOYSA-N 0 0 244.241 3.411 10 0 BGAERN Brc1cncc(C2CCCCC2)n1 ZINC000044119956 166104016 /nfs/dbraw/zinc/10/40/16/166104016.db2.gz LSWUEVDNTFTOHP-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN Cc1ccc(-c2cncc(Br)n2)cc1 ZINC000044120020 178329196 /nfs/dbraw/zinc/32/91/96/178329196.db2.gz CGCKXIMIKJDOAG-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Cc1ccccc1-c1cncc(Br)n1 ZINC000044120041 179237012 /nfs/dbraw/zinc/23/70/12/179237012.db2.gz HBJKELCQUDHCMH-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN CC(C)(C)c1ccc(-c2cncc(N)n2)cc1 ZINC000044120141 187268428 /nfs/dbraw/zinc/26/84/28/187268428.db2.gz DBIOEXCCMODDGC-UHFFFAOYSA-N 0 0 227.311 3.023 10 0 BGAERN CC[C@@H](C)c1cccc(Br)n1 ZINC000044120279 386259427 /nfs/dbraw/zinc/25/94/27/386259427.db2.gz PZUZIDZQXGJRKX-SSDOTTSWSA-N 0 0 214.106 3.358 10 0 BGAERN CC[C@H](C)c1cccc(Br)n1 ZINC000044120283 171411942 /nfs/dbraw/zinc/41/19/42/171411942.db2.gz PZUZIDZQXGJRKX-ZETCQYMHSA-N 0 0 214.106 3.358 10 0 BGAERN CC(C)Cc1cccc(Br)n1 ZINC000044120286 344395964 /nfs/dbraw/zinc/39/59/64/344395964.db2.gz MNGUTNCCVJKIAD-UHFFFAOYSA-N 0 0 214.106 3.043 10 0 BGAERN Brc1cc(-c2ccoc2)ccn1 ZINC000044120388 166096111 /nfs/dbraw/zinc/09/61/11/166096111.db2.gz KEKHTXWHJDAMEF-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1ccc(-c2nccs2)o1 ZINC000044120618 166097575 /nfs/dbraw/zinc/09/75/75/166097575.db2.gz DXAWVWUWBANVIJ-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1cc(-c2nccs2)co1 ZINC000044120630 166096213 /nfs/dbraw/zinc/09/62/13/166096213.db2.gz HYXBHOGRVSNOQC-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1cc(C2CC2)cs1 ZINC000044120805 166095638 /nfs/dbraw/zinc/09/56/38/166095638.db2.gz BBLGIGMAMHOONG-UHFFFAOYSA-N 0 0 203.104 3.388 10 0 BGAERN Brc1ccc(-c2ccco2)cn1 ZINC000044121171 166096058 /nfs/dbraw/zinc/09/60/58/166096058.db2.gz XFQCAGFNHIJKCC-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1ccc(-c2ccoc2)cn1 ZINC000044121176 166098091 /nfs/dbraw/zinc/09/80/91/166098091.db2.gz XXXUCCSSKCFRIM-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Nc1ccccc1-c1ccc(Br)nc1 ZINC000044121246 181750830 /nfs/dbraw/zinc/75/08/30/181750830.db2.gz DRIVRFHPWQFDJC-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN Brc1ccc(-c2ccoc2)nc1 ZINC000044121471 166097897 /nfs/dbraw/zinc/09/78/97/166097897.db2.gz KWIXZVUJEQPEHI-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN Brc1cncc(C2=CCCCC2)n1 ZINC000044121697 166104710 /nfs/dbraw/zinc/10/47/10/166104710.db2.gz GYNAYYJONDSTNR-UHFFFAOYSA-N 0 0 239.116 3.197 10 0 BGAERN Brc1cc(C2CCC2)co1 ZINC000044121804 166095759 /nfs/dbraw/zinc/09/57/59/166095759.db2.gz HRODEIOVFFZRAU-UHFFFAOYSA-N 0 0 201.063 3.310 10 0 BGAERN Brc1ccc(C2CCC2)o1 ZINC000044121814 166097883 /nfs/dbraw/zinc/09/78/83/166097883.db2.gz LPNKESNQZTVYBE-UHFFFAOYSA-N 0 0 201.063 3.310 10 0 BGAERN Brc1ncc(C2CCC2)s1 ZINC000044121841 344397901 /nfs/dbraw/zinc/39/79/01/344397901.db2.gz WDFGAENRMWIZNB-UHFFFAOYSA-N 0 0 218.119 3.173 10 0 BGAERN Brc1ccc([C@@H]2CCOC2)s1 ZINC000044122343 166099131 /nfs/dbraw/zinc/09/91/31/166099131.db2.gz ILFPRUGARNXXTC-ZCFIWIBFSA-N 0 0 233.130 3.015 10 0 BGAERN Brc1ccc([C@H]2CCOC2)s1 ZINC000044122348 166100393 /nfs/dbraw/zinc/10/03/93/166100393.db2.gz ILFPRUGARNXXTC-LURJTMIESA-N 0 0 233.130 3.015 10 0 BGAERN Brc1ccc(C2CCOCC2)s1 ZINC000044122363 166098086 /nfs/dbraw/zinc/09/80/86/166098086.db2.gz URQLAHFBOFCBLD-UHFFFAOYSA-N 0 0 247.157 3.405 10 0 BGAERN Brc1ccc([C@@H]2CCCOC2)s1 ZINC000044122368 166100218 /nfs/dbraw/zinc/10/02/18/166100218.db2.gz RHVPQRZSRLGBHL-SSDOTTSWSA-N 0 0 247.157 3.405 10 0 BGAERN Brc1ccc([C@H]2CCCOC2)s1 ZINC000044122374 166099262 /nfs/dbraw/zinc/09/92/62/166099262.db2.gz RHVPQRZSRLGBHL-ZETCQYMHSA-N 0 0 247.157 3.405 10 0 BGAERN CC1(C)CC(=O)c2cc(Cl)ccc2O1 ZINC000044138055 386277184 /nfs/dbraw/zinc/27/71/84/386277184.db2.gz OAQBJKPCYZKZJH-UHFFFAOYSA-N 0 0 210.660 3.084 10 0 BGAERN Cc1cc2ncn(C[C@H](O)C(C)(C)C)c2cc1C ZINC000044184020 178304879 /nfs/dbraw/zinc/30/48/79/178304879.db2.gz CZJKGOSUNDSJHW-AWEZNQCLSA-N 0 0 246.354 3.060 10 0 BGAERN Cc1cc2ncn(C[C@@H](O)C(C)(C)C)c2cc1C ZINC000044184024 178305036 /nfs/dbraw/zinc/30/50/36/178305036.db2.gz CZJKGOSUNDSJHW-CQSZACIVSA-N 0 0 246.354 3.060 10 0 BGAERN Cc1c2[nH]ccc2c(F)cc1Br ZINC000044184866 343494738 /nfs/dbraw/zinc/49/47/38/343494738.db2.gz SKWGWBUZBOOZDO-UHFFFAOYSA-N 0 0 228.064 3.378 10 0 BGAERN COc1cc(Br)c(C)c2[nH]ccc21 ZINC000044185223 352202349 /nfs/dbraw/zinc/20/23/49/352202349.db2.gz RXFJQMXJLSJPPK-UHFFFAOYSA-N 0 0 240.100 3.247 10 0 BGAERN COc1ccc(C(F)(F)F)c2cc[nH]c21 ZINC000044185376 175069700 /nfs/dbraw/zinc/06/97/00/175069700.db2.gz MYJIXOCKLZXUQJ-UHFFFAOYSA-N 0 0 215.174 3.195 10 0 BGAERN C[C@H](O)COc1ccccc1-c1ccccc1 ZINC000044194244 344907021 /nfs/dbraw/zinc/90/70/21/344907021.db2.gz FQKKMZPIUDFBHD-LBPRGKRZSA-N 0 0 228.291 3.113 10 0 BGAERN C[C@@H](O)COc1ccccc1-c1ccccc1 ZINC000044194247 344907178 /nfs/dbraw/zinc/90/71/78/344907178.db2.gz FQKKMZPIUDFBHD-GFCCVEGCSA-N 0 0 228.291 3.113 10 0 BGAERN C[C@H](O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000044197416 322840366 /nfs/dbraw/zinc/84/03/66/322840366.db2.gz WZZCDGDNIZEICC-QWRGUYRKSA-N 0 0 222.328 3.132 10 0 BGAERN COC(=O)c1cccc(SC(F)(F)F)c1 ZINC000044199885 344946595 /nfs/dbraw/zinc/94/65/95/344946595.db2.gz REUPLSCMAFXGJM-UHFFFAOYSA-N 0 0 236.214 3.085 10 0 BGAERN COC(=O)c1c2ccccc2[nH]c1C(C)(C)C ZINC000044200007 368332215 /nfs/dbraw/zinc/33/22/15/368332215.db2.gz VLYJEBKNWXARNL-UHFFFAOYSA-N 0 0 231.295 3.252 10 0 BGAERN COC(=O)c1cc(OC)ccc1-c1ccccc1 ZINC000044200180 368332421 /nfs/dbraw/zinc/33/24/21/368332421.db2.gz OCRGVHCGRFIRPI-UHFFFAOYSA-N 0 0 242.274 3.149 10 0 BGAERN CCOC(=O)c1c(F)cccc1C(F)(F)F ZINC000044200368 170288670 /nfs/dbraw/zinc/28/86/70/170288670.db2.gz LCNXNRPQQLLALD-UHFFFAOYSA-N 0 0 236.164 3.021 10 0 BGAERN CCOC(=O)c1ccc(C(F)(F)F)cc1F ZINC000044200370 344982346 /nfs/dbraw/zinc/98/23/46/344982346.db2.gz DOXYFZGMAMOBTQ-UHFFFAOYSA-N 0 0 236.164 3.021 10 0 BGAERN CCOC(=O)c1cc(F)ccc1C(F)(F)F ZINC000044200437 344537528 /nfs/dbraw/zinc/53/75/28/344537528.db2.gz XRUGEWMVTKVACF-UHFFFAOYSA-N 0 0 236.164 3.021 10 0 BGAERN CCOC(=O)c1ccc(-c2ccco2)cc1 ZINC000044201017 170294739 /nfs/dbraw/zinc/29/47/39/170294739.db2.gz IOKSGGUJHUNARM-UHFFFAOYSA-N 0 0 216.236 3.123 10 0 BGAERN CCOC(=O)c1cccc(-c2ccco2)c1 ZINC000044201077 352210287 /nfs/dbraw/zinc/21/02/87/352210287.db2.gz QXOQNMFRJHWSJH-UHFFFAOYSA-N 0 0 216.236 3.123 10 0 BGAERN Clc1cccc(Cl)c1C1OCCO1 ZINC000044227347 358404381 /nfs/dbraw/zinc/40/43/81/358404381.db2.gz HOSKFHSJPPPZCU-UHFFFAOYSA-N 0 0 219.067 3.039 10 0 BGAERN Cc1cc(C(C)(C)C)ccc1O[C@@H](C)[C@@H](C)O ZINC000044233470 322840370 /nfs/dbraw/zinc/84/03/70/322840370.db2.gz USXHUTNMGAYXOB-NEPJUHHUSA-N 0 0 236.355 3.441 10 0 BGAERN Cc1cc(C(C)(C)C)ccc1O[C@H](C)[C@@H](C)O ZINC000044233473 322840453 /nfs/dbraw/zinc/84/04/53/322840453.db2.gz USXHUTNMGAYXOB-VXGBXAGGSA-N 0 0 236.355 3.441 10 0 BGAERN Cc1cc(C(C)(C)C)ccc1O[C@@H](C)[C@H](C)O ZINC000044233476 322840416 /nfs/dbraw/zinc/84/04/16/322840416.db2.gz USXHUTNMGAYXOB-RYUDHWBXSA-N 0 0 236.355 3.441 10 0 BGAERN C[C@@H](Oc1cccc(C(C)(C)C)c1)[C@H](C)O ZINC000044233668 322840274 /nfs/dbraw/zinc/84/02/74/322840274.db2.gz PFNJAFYPTAKNAU-WDEREUQCSA-N 0 0 222.328 3.132 10 0 BGAERN C[C@H](O)[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000044233674 322840382 /nfs/dbraw/zinc/84/03/82/322840382.db2.gz PFNJAFYPTAKNAU-QWRGUYRKSA-N 0 0 222.328 3.132 10 0 BGAERN Cc1ccc(C(C)C)cc1O[C@@H](C)[C@@H](C)O ZINC000044236851 322840712 /nfs/dbraw/zinc/84/07/12/322840712.db2.gz JBXHAWNDPFGADC-NEPJUHHUSA-N 0 0 222.328 3.267 10 0 BGAERN Cc1ccc(C(C)C)cc1O[C@H](C)[C@@H](C)O ZINC000044236854 322840504 /nfs/dbraw/zinc/84/05/04/322840504.db2.gz JBXHAWNDPFGADC-VXGBXAGGSA-N 0 0 222.328 3.267 10 0 BGAERN Cc1ccc(C(C)C)cc1O[C@H](C)[C@H](C)O ZINC000044236860 322840721 /nfs/dbraw/zinc/84/07/21/322840721.db2.gz JBXHAWNDPFGADC-NWDGAFQWSA-N 0 0 222.328 3.267 10 0 BGAERN NC(=O)/C=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000044259683 352232969 /nfs/dbraw/zinc/23/29/69/352232969.db2.gz CLIDPPRRVXCSRE-ALCCZGGFSA-N 0 0 247.681 3.099 10 0 BGAERN O=Cc1csc(Cc2ccccc2Cl)n1 ZINC000044266100 345001044 /nfs/dbraw/zinc/00/10/44/345001044.db2.gz WSQADJODKNLHAM-UHFFFAOYSA-N 0 0 237.711 3.200 10 0 BGAERN COC(=N)Cc1c(Cl)cccc1Cl ZINC000044267662 343496995 /nfs/dbraw/zinc/49/69/95/343496995.db2.gz YQSQAWBJAFGFCH-UHFFFAOYSA-N 0 0 218.083 3.160 10 0 BGAERN O=Cc1cnc(Cc2ccccc2Cl)s1 ZINC000044267670 398338094 /nfs/dbraw/zinc/33/80/94/398338094.db2.gz VRALTAUYXQCXJT-UHFFFAOYSA-N 0 0 237.711 3.200 10 0 BGAERN CC(C)c1nn(C)c(N)c1-c1ccccc1Cl ZINC000044269301 167699273 /nfs/dbraw/zinc/69/92/73/167699273.db2.gz 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3.267 10 0 BGAERN CC(C)[C@H](C)NC(=O)[C@@H]1CCCc2ccccc21 ZINC000044343025 187267843 /nfs/dbraw/zinc/26/78/43/187267843.db2.gz XDQHOLRMQXWYKZ-SWLSCSKDSA-N 0 0 245.366 3.267 10 0 BGAERN CC(C)[C@@H](C)NC(=O)[C@H]1CCCc2ccccc21 ZINC000044343030 187606407 /nfs/dbraw/zinc/60/64/07/187606407.db2.gz XDQHOLRMQXWYKZ-DOMZBBRYSA-N 0 0 245.366 3.267 10 0 BGAERN CC(C)[C@H](C)NC(=O)[C@H]1CCCc2ccccc21 ZINC000044343034 384326795 /nfs/dbraw/zinc/32/67/95/384326795.db2.gz XDQHOLRMQXWYKZ-WFASDCNBSA-N 0 0 245.366 3.267 10 0 BGAERN Cc1ccsc1[C@H](O)c1ccccc1 ZINC000044353389 345032868 /nfs/dbraw/zinc/03/28/68/345032868.db2.gz SJENUSWFRBSLFT-LLVKDONJSA-N 0 0 204.294 3.138 10 0 BGAERN Cc1ccsc1[C@@H](O)c1ccccc1 ZINC000044353390 345033655 /nfs/dbraw/zinc/03/36/55/345033655.db2.gz SJENUSWFRBSLFT-NSHDSACASA-N 0 0 204.294 3.138 10 0 BGAERN CC(C)(C)[C@@H](O)c1ccc2c(c1)CCCC(=O)N2 ZINC000044353420 188296251 /nfs/dbraw/zinc/29/62/51/188296251.db2.gz AVZDTYMNSZJZGI-AWEZNQCLSA-N 0 0 247.338 3.041 10 0 BGAERN CC(C)CSc1nc2cc(N)ccc2o1 ZINC000044378864 187979729 /nfs/dbraw/zinc/97/97/29/187979729.db2.gz LLQRGAJNPRHTBF-UHFFFAOYSA-N 0 0 222.313 3.158 10 0 BGAERN OCCCc1ccccc1OCc1ccccc1 ZINC000044382447 344540155 /nfs/dbraw/zinc/54/01/55/344540155.db2.gz ZIZIRFBMCDNBGA-UHFFFAOYSA-N 0 0 242.318 3.191 10 0 BGAERN OCCCc1ccc(Oc2ccccc2)cc1 ZINC000044396259 345051328 /nfs/dbraw/zinc/05/13/28/345051328.db2.gz NNGWHCIMHMOXNB-UHFFFAOYSA-N 0 0 228.291 3.404 10 0 BGAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1N ZINC000044415262 176079391 /nfs/dbraw/zinc/07/93/91/176079391.db2.gz WKTZHXDEVQKMCG-YPMHNXCESA-N 0 0 218.344 3.284 10 0 BGAERN C[C@H]1CCCC[C@@H]1N(C)c1ccccc1N ZINC000044415263 177081868 /nfs/dbraw/zinc/08/18/68/177081868.db2.gz WKTZHXDEVQKMCG-AAEUAGOBSA-N 0 0 218.344 3.284 10 0 BGAERN C[C@@H]1CCCC[C@H]1N(C)c1ccccc1N ZINC000044415264 176086925 /nfs/dbraw/zinc/08/69/25/176086925.db2.gz WKTZHXDEVQKMCG-DGCLKSJQSA-N 0 0 218.344 3.284 10 0 BGAERN C[C@H]1CCCC[C@H]1N(C)c1ccccc1N ZINC000044415265 177087070 /nfs/dbraw/zinc/08/70/70/177087070.db2.gz WKTZHXDEVQKMCG-WCQYABFASA-N 0 0 218.344 3.284 10 0 BGAERN C[C@@H]1c2ccsc2CCN1c1ccccc1N ZINC000044415701 132354125 /nfs/dbraw/zinc/35/41/25/132354125.db2.gz PIOHXFRGCBVDNJ-SNVBAGLBSA-N 0 0 244.363 3.454 10 0 BGAERN C[C@H]1c2ccsc2CCN1c1ccccc1N ZINC000044415703 132354152 /nfs/dbraw/zinc/35/41/52/132354152.db2.gz PIOHXFRGCBVDNJ-JTQLQIEISA-N 0 0 244.363 3.454 10 0 BGAERN Nc1ccc(OCc2cccc(F)c2)cc1F ZINC000044421971 343500169 /nfs/dbraw/zinc/50/01/69/343500169.db2.gz RDQGBLUJJHDIOR-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN Nc1ccc(Oc2cccc(CO)c2)c(Cl)c1 ZINC000044422061 181723549 /nfs/dbraw/zinc/72/35/49/181723549.db2.gz JDTXBIIYCMZDFH-UHFFFAOYSA-N 0 0 249.697 3.207 10 0 BGAERN O=C1c2ccccc2C[C@H]1Cc1cccc(F)c1 ZINC000044467469 182845997 /nfs/dbraw/zinc/84/59/97/182845997.db2.gz QQCVJQXJUUOJBO-CYBMUJFWSA-N 0 0 240.277 3.423 10 0 BGAERN CC(C)C[C@@H]1CCc2ccccc2C1=O ZINC000044467804 345088722 /nfs/dbraw/zinc/08/87/22/345088722.db2.gz ICADQKCRWNJHBN-LBPRGKRZSA-N 0 0 202.297 3.478 10 0 BGAERN CC(C)C[C@H]1CCc2ccccc2C1=O ZINC000044467807 345088805 /nfs/dbraw/zinc/08/88/05/345088805.db2.gz ICADQKCRWNJHBN-GFCCVEGCSA-N 0 0 202.297 3.478 10 0 BGAERN C[C@@H]1CCC(=O)[C@H](Cc2ccccc2)C1 ZINC000044468474 343501763 /nfs/dbraw/zinc/50/17/63/343501763.db2.gz ONJZEWNNWGEMOY-YPMHNXCESA-N 0 0 202.297 3.234 10 0 BGAERN C[C@H]1CCC(=O)[C@H](Cc2ccccc2)C1 ZINC000044468476 343501939 /nfs/dbraw/zinc/50/19/39/343501939.db2.gz ONJZEWNNWGEMOY-AAEUAGOBSA-N 0 0 202.297 3.234 10 0 BGAERN C[C@@H]1CCC(=O)[C@@H](Cc2ccccc2)C1 ZINC000044468479 345084993 /nfs/dbraw/zinc/08/49/93/345084993.db2.gz ONJZEWNNWGEMOY-DGCLKSJQSA-N 0 0 202.297 3.234 10 0 BGAERN C[C@H]1CCC(=O)[C@@H](Cc2ccccc2)C1 ZINC000044468482 345085014 /nfs/dbraw/zinc/08/50/14/345085014.db2.gz ONJZEWNNWGEMOY-WCQYABFASA-N 0 0 202.297 3.234 10 0 BGAERN C[C@H](O)CCc1ccc(Cl)c(Cl)c1 ZINC000044469648 176966637 /nfs/dbraw/zinc/96/66/37/176966637.db2.gz OGEFBWRDBYQQNN-ZETCQYMHSA-N 0 0 219.111 3.307 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175149710 /nfs/dbraw/zinc/14/97/10/175149710.db2.gz KARXMNOKKLPNOY-UHFFFAOYSA-N 0 0 211.692 3.313 10 0 BGAERN Fc1ccc(NC2CCC2)c(F)c1F ZINC000044479968 345092546 /nfs/dbraw/zinc/09/25/46/345092546.db2.gz NBVIHAMDTRZASX-UHFFFAOYSA-N 0 0 201.191 3.068 10 0 BGAERN COc1ccc(Cl)cc1NC1CCC1 ZINC000044480030 343502790 /nfs/dbraw/zinc/50/27/90/343502790.db2.gz RFEHGVOGVGHMQI-UHFFFAOYSA-N 0 0 211.692 3.313 10 0 BGAERN Brc1ccccc1NC1CCC1 ZINC000044480082 166103162 /nfs/dbraw/zinc/10/31/62/166103162.db2.gz JBFPNYCXEMRSHH-UHFFFAOYSA-N 0 0 226.117 3.414 10 0 BGAERN Brc1ccc(NC2CCC2)cc1 ZINC000044480084 166097757 /nfs/dbraw/zinc/09/77/57/166097757.db2.gz IGPMMRGKAPAWJC-UHFFFAOYSA-N 0 0 226.117 3.414 10 0 BGAERN CC(C)Oc1ccc(NC2CCC2)cc1 ZINC000044480556 188123817 /nfs/dbraw/zinc/12/38/17/188123817.db2.gz ZQYHHPJZRHKABA-UHFFFAOYSA-N 0 0 205.301 3.438 10 0 BGAERN Cc1nn(C(C)C)c(C)c1NC1CCC1 ZINC000044481823 188326449 /nfs/dbraw/zinc/32/64/49/188326449.db2.gz XJZOCSNWHZPGAY-UHFFFAOYSA-N 0 0 207.321 3.045 10 0 BGAERN COc1ccc(Cl)c(NC2CCC2)c1 ZINC000044481969 345095039 /nfs/dbraw/zinc/09/50/39/345095039.db2.gz MYPPARSIWOVNBB-UHFFFAOYSA-N 0 0 211.692 3.313 10 0 BGAERN C[C@@H](CCc1ccccc1)Nc1ncccc1N ZINC000044482531 345094922 /nfs/dbraw/zinc/09/49/22/345094922.db2.gz HZVALKJIXRPOBG-LBPRGKRZSA-N 0 0 241.338 3.097 10 0 BGAERN C[C@H](CCc1ccccc1)Nc1ncccc1N ZINC000044482532 345095365 /nfs/dbraw/zinc/09/53/65/345095365.db2.gz HZVALKJIXRPOBG-GFCCVEGCSA-N 0 0 241.338 3.097 10 0 BGAERN CCn1cc([C@@H](C)Nc2ccccc2C)cn1 ZINC000044494839 172195208 /nfs/dbraw/zinc/19/52/08/172195208.db2.gz USXABKROIBDIQG-GFCCVEGCSA-N 0 0 229.327 3.385 10 0 BGAERN CCn1cc([C@H](C)Nc2ccccc2C)cn1 ZINC000044494840 172199456 /nfs/dbraw/zinc/19/94/56/172199456.db2.gz USXABKROIBDIQG-LBPRGKRZSA-N 0 0 229.327 3.385 10 0 BGAERN C/C(=C/c1cccc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000044547558 188480529 /nfs/dbraw/zinc/48/05/29/188480529.db2.gz KDMSDFWVSIRTOL-ALCCZGGFSA-N 0 0 231.173 3.343 10 0 BGAERN Cc1ccc([S@@](=O)c2ccccc2C)cc1 ZINC000044559892 178934717 /nfs/dbraw/zinc/93/47/17/178934717.db2.gz GXHQONPZMSKJGF-INIZCTEOSA-N 0 0 230.332 3.470 10 0 BGAERN CCOC(OCC)(OCC)c1cccc(F)c1 ZINC000044589446 170315945 /nfs/dbraw/zinc/31/59/45/170315945.db2.gz KSQMMEKWDRIMMD-UHFFFAOYSA-N 0 0 242.290 3.046 10 0 BGAERN Cc1ccc(F)c2sc(Cl)nc21 ZINC000044601828 343509763 /nfs/dbraw/zinc/50/97/63/343509763.db2.gz GXQVXROWZKAMOF-UHFFFAOYSA-N 0 0 201.653 3.397 10 0 BGAERN COc1cc2sc(Cl)nc2c(C)c1 ZINC000044601831 385815174 /nfs/dbraw/zinc/81/51/74/385815174.db2.gz ONPCNAVFNWVJPH-UHFFFAOYSA-N 0 0 213.689 3.267 10 0 BGAERN Brc1nccc2sccc21 ZINC000044628845 188123518 /nfs/dbraw/zinc/12/35/18/188123518.db2.gz KFLHTKWGSANOOL-UHFFFAOYSA-N 0 0 214.087 3.059 10 0 BGAERN CC(C)(C)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000044670972 343511186 /nfs/dbraw/zinc/51/11/86/343511186.db2.gz WQGDNBLRIYPHNO-UHFFFAOYSA-N 0 0 243.350 3.348 10 0 BGAERN CCCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000044671029 168537499 /nfs/dbraw/zinc/53/74/99/168537499.db2.gz FZAHDSCBTVGRCD-UHFFFAOYSA-N 0 0 229.323 3.102 10 0 BGAERN Cc1ccccc1C(=O)c1ccc(N)cc1Cl ZINC000044672367 179254128 /nfs/dbraw/zinc/25/41/28/179254128.db2.gz KWMMPYUINBQSLM-UHFFFAOYSA-N 0 0 245.709 3.462 10 0 BGAERN Cc1cc(CN[C@H](C)c2ccc(C)cc2C)no1 ZINC000044692342 384351010 /nfs/dbraw/zinc/35/10/10/384351010.db2.gz XHHXQGLEGQONOV-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cc(CN[C@@H](C)c2ccc(C)cc2C)no1 ZINC000044692344 384351905 /nfs/dbraw/zinc/35/19/05/384351905.db2.gz XHHXQGLEGQONOV-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cc(CN[C@H](C)c2ccc(C)c(C)c2)no1 ZINC000044692442 178038081 /nfs/dbraw/zinc/03/80/81/178038081.db2.gz BZLRJYJUEAFXHW-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cc(CN[C@@H](C)c2ccc(C)c(C)c2)no1 ZINC000044692444 178031929 /nfs/dbraw/zinc/03/19/29/178031929.db2.gz BZLRJYJUEAFXHW-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cc(CN[C@H](C)c2cccc(C)c2)no1 ZINC000044692957 368421993 /nfs/dbraw/zinc/42/19/93/368421993.db2.gz NPYOMGPMUBSVDJ-GFCCVEGCSA-N 0 0 230.311 3.142 10 0 BGAERN Cc1cc(CN[C@@H](C)c2cccc(C)c2)no1 ZINC000044692959 368422342 /nfs/dbraw/zinc/42/23/42/368422342.db2.gz NPYOMGPMUBSVDJ-LBPRGKRZSA-N 0 0 230.311 3.142 10 0 BGAERN COC(=O)c1cc(Cl)cc(C(C)(C)C)c1 ZINC000044699962 384354715 /nfs/dbraw/zinc/35/47/15/384354715.db2.gz OSMNCWVECZHFFL-UHFFFAOYSA-N 0 0 226.703 3.424 10 0 BGAERN CCOC1=CC=C[C@@](C)(Br)C1 ZINC000044710107 170320844 /nfs/dbraw/zinc/32/08/44/170320844.db2.gz VGKRHDPKJNVOIU-SECBINFHSA-N 0 0 217.106 3.020 10 0 BGAERN CCOC1=CC=C[C@](C)(Br)C1 ZINC000044710108 170320972 /nfs/dbraw/zinc/32/09/72/170320972.db2.gz VGKRHDPKJNVOIU-VIFPVBQESA-N 0 0 217.106 3.020 10 0 BGAERN COC(COC/C=C(\C)CCC=C(C)C)OC ZINC000044712415 343512544 /nfs/dbraw/zinc/51/25/44/343512544.db2.gz NPBSCTNZMOBINO-UKTHLTGXSA-N 0 0 242.359 3.315 10 0 BGAERN Cc1c2c(Cl)c[nH]c2ncc1Br ZINC000044712653 343512815 /nfs/dbraw/zinc/51/28/15/343512815.db2.gz LSMWCDNKVGLAMR-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Cc1ccc(Br)c2scnc21 ZINC000044712724 352384401 /nfs/dbraw/zinc/38/44/01/352384401.db2.gz QFTJBTQBZJADQB-UHFFFAOYSA-N 0 0 228.114 3.367 10 0 BGAERN Cc1cc(O)cc2sc(Br)nc21 ZINC000044712738 343512842 /nfs/dbraw/zinc/51/28/42/343512842.db2.gz KNUUBGUGPSSGBJ-UHFFFAOYSA-N 0 0 244.113 3.073 10 0 BGAERN FC(F)(F)c1cnc2c(Cl)c[nH]c2c1 ZINC000044713063 352384430 /nfs/dbraw/zinc/38/44/30/352384430.db2.gz SCZQVAIFDUJVHU-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN FC(F)(F)c1ccc2[nH]cc(Cl)c2n1 ZINC000044713074 352384231 /nfs/dbraw/zinc/38/42/31/352384231.db2.gz VIZRGTJRIXVQOD-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN Cc1cc(Cl)nc2c(Br)c[nH]c21 ZINC000044713277 352384386 /nfs/dbraw/zinc/38/43/86/352384386.db2.gz UGDGXTKQKRVCKK-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Fc1cnc(Br)c2[nH]cc(Cl)c21 ZINC000044713286 352384449 /nfs/dbraw/zinc/38/44/49/352384449.db2.gz RKGNNQRQTYJBTJ-UHFFFAOYSA-N 0 0 249.470 3.118 10 0 BGAERN COC(=O)c1cc2sc(Cl)nc2c(C)c1 ZINC000044713307 384353641 /nfs/dbraw/zinc/35/36/41/384353641.db2.gz BOLDVAFZLUCRKJ-UHFFFAOYSA-N 0 0 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170603056 /nfs/dbraw/zinc/60/30/56/170603056.db2.gz VKVGRLRTIPRPON-UHFFFAOYSA-N 0 0 207.298 3.312 10 0 BGAERN CCOc1nc2cc(C)c(C)cc2s1 ZINC000045237213 170602896 /nfs/dbraw/zinc/60/28/96/170602896.db2.gz GFEFOWOSGUPUFL-UHFFFAOYSA-N 0 0 207.298 3.312 10 0 BGAERN CCOc1nc2c(cc(C)cc2C)s1 ZINC000045237220 343526732 /nfs/dbraw/zinc/52/67/32/343526732.db2.gz OAGNVMXTMNCVBA-UHFFFAOYSA-N 0 0 207.298 3.312 10 0 BGAERN CCOc1nc2c(cc(OC)cc2C)s1 ZINC000045237221 343526646 /nfs/dbraw/zinc/52/66/46/343526646.db2.gz IHBITPPNLCMPBK-UHFFFAOYSA-N 0 0 223.297 3.012 10 0 BGAERN CCOc1nc2cccc(Cl)c2s1 ZINC000045237234 343526741 /nfs/dbraw/zinc/52/67/41/343526741.db2.gz FLIJXSGPFCQVKU-UHFFFAOYSA-N 0 0 213.689 3.348 10 0 BGAERN CCCCOc1nc2ccc(N)cc2s1 ZINC000045237265 343526777 /nfs/dbraw/zinc/52/67/77/343526777.db2.gz TWNDDDBMSPJYBM-UHFFFAOYSA-N 0 0 222.313 3.057 10 0 BGAERN CC(C)(C)Oc1nc2ccccc2s1 ZINC000045237281 166688009 /nfs/dbraw/zinc/68/80/09/166688009.db2.gz AFGFKJIBWRJEAB-UHFFFAOYSA-N 0 0 207.298 3.474 10 0 BGAERN CCCCOc1nc2ccccc2s1 ZINC000045237282 343526637 /nfs/dbraw/zinc/52/66/37/343526637.db2.gz MFXBLRGWJRYPNT-UHFFFAOYSA-N 0 0 207.298 3.475 10 0 BGAERN CCCNc1nc2c(cccc2C)s1 ZINC000045237297 169295983 /nfs/dbraw/zinc/29/59/83/169295983.db2.gz HQMGDIHQMYQVMX-UHFFFAOYSA-N 0 0 206.314 3.427 10 0 BGAERN CCSc1nc2ccc(O)cc2s1 ZINC000045237301 343526773 /nfs/dbraw/zinc/52/67/73/343526773.db2.gz GEXWLTFSOMTAON-UHFFFAOYSA-N 0 0 211.311 3.114 10 0 BGAERN CCOc1nc2ccc(Cl)cc2s1 ZINC000045237348 343526588 /nfs/dbraw/zinc/52/65/88/343526588.db2.gz WZTRWHZBHLTNBD-UHFFFAOYSA-N 0 0 213.689 3.348 10 0 BGAERN Nc1ccc2nc(Cl)sc2c1Cl ZINC000045237356 343526604 /nfs/dbraw/zinc/52/66/04/343526604.db2.gz MNORRHJKCKZESK-UHFFFAOYSA-N 0 0 219.096 3.185 10 0 BGAERN Nc1ccc(Cl)c2sc(Cl)nc21 ZINC000045237357 343526805 /nfs/dbraw/zinc/52/68/05/343526805.db2.gz NQDLEEXJPJZKMU-UHFFFAOYSA-N 0 0 219.096 3.185 10 0 BGAERN Cc1nc2c(s1)c(F)c(F)c(F)c2F ZINC000045237362 180064211 /nfs/dbraw/zinc/06/42/11/180064211.db2.gz MDVWTPBRQGXJRS-UHFFFAOYSA-N 0 0 221.178 3.161 10 0 BGAERN CCCCc1c2scnc2ccc1N ZINC000045237390 169018375 /nfs/dbraw/zinc/01/83/75/169018375.db2.gz VFGNWEPAUPPAIT-UHFFFAOYSA-N 0 0 206.314 3.221 10 0 BGAERN Cc1nc2ccc3nc(C)sc3c2o1 ZINC000045237396 180100479 /nfs/dbraw/zinc/10/04/79/180100479.db2.gz XTPUGXGRDMFRAB-UHFFFAOYSA-N 0 0 204.254 3.054 10 0 BGAERN OC1(c2nc3ccccc3s2)CCCC1 ZINC000045237402 183025231 /nfs/dbraw/zinc/02/52/31/183025231.db2.gz AOJYVXGYKSAKOD-UHFFFAOYSA-N 0 0 219.309 3.058 10 0 BGAERN CC(=O)c1nc2cc(Cl)ccc2s1 ZINC000045237412 187281935 /nfs/dbraw/zinc/28/19/35/187281935.db2.gz VTNMKVKGIFCZRD-UHFFFAOYSA-N 0 0 211.673 3.152 10 0 BGAERN c1csc(-c2nc3ccccc3s2)n1 ZINC000045237451 384382992 /nfs/dbraw/zinc/38/29/92/384382992.db2.gz OFPLWAOEAHGPCV-UHFFFAOYSA-N 0 0 218.306 3.420 10 0 BGAERN CSc1nc2ccc(N(C)C)cc2s1 ZINC000045237454 343526769 /nfs/dbraw/zinc/52/67/69/343526769.db2.gz AECKXKPUNYBMLV-UHFFFAOYSA-N 0 0 224.354 3.084 10 0 BGAERN CNc1ccc2nc(SC)sc2c1 ZINC000045237456 384384150 /nfs/dbraw/zinc/38/41/50/384384150.db2.gz QLOUUQMPUMEBES-UHFFFAOYSA-N 0 0 210.327 3.060 10 0 BGAERN CC(=O)c1ccc2sc(Cl)nc2c1 ZINC000045237473 384680557 /nfs/dbraw/zinc/68/05/57/384680557.db2.gz GOADXEZFBWBZKY-UHFFFAOYSA-N 0 0 211.673 3.152 10 0 BGAERN Cc1ccc2sc(C(C)C)nc2c1N ZINC000045237514 343526746 /nfs/dbraw/zinc/52/67/46/343526746.db2.gz DVLNBGWETQLCJY-UHFFFAOYSA-N 0 0 206.314 3.310 10 0 BGAERN Cc1cc2nc(C(C)C)sc2cc1N ZINC000045237516 178300622 /nfs/dbraw/zinc/30/06/22/178300622.db2.gz QIOKHAZADJJPHB-UHFFFAOYSA-N 0 0 206.314 3.310 10 0 BGAERN COc1cc2nc(C(C)C)sc2cc1N ZINC000045237517 175028071 /nfs/dbraw/zinc/02/80/71/175028071.db2.gz HRXWFMGBIFJJCJ-UHFFFAOYSA-N 0 0 222.313 3.011 10 0 BGAERN Cc1cc2sc(C(C)(C)C)nc2cc1N ZINC000045237519 178307465 /nfs/dbraw/zinc/30/74/65/178307465.db2.gz TXEPCRDWKNUMRI-UHFFFAOYSA-N 0 0 220.341 3.484 10 0 BGAERN CC(C)(C)c1nc2c(cccc2N)s1 ZINC000045237533 343526821 /nfs/dbraw/zinc/52/68/21/343526821.db2.gz ORJDXXQBSURYPA-UHFFFAOYSA-N 0 0 206.314 3.176 10 0 BGAERN CC(C)(C)c1nc2cc(N)ccc2s1 ZINC000045237534 343526748 /nfs/dbraw/zinc/52/67/48/343526748.db2.gz XSLZCLVYTSSVKA-UHFFFAOYSA-N 0 0 206.314 3.176 10 0 BGAERN Nc1c2scnc2c(Cl)cc1Cl ZINC000045237536 343526750 /nfs/dbraw/zinc/52/67/50/343526750.db2.gz ODYWZZIPVHTNDH-UHFFFAOYSA-N 0 0 219.096 3.185 10 0 BGAERN C[C@H](O)c1nc2ccc(Cl)cc2s1 ZINC000045237602 177018743 /nfs/dbraw/zinc/01/87/43/177018743.db2.gz CZABSVFSUYBXED-YFKPBYRVSA-N 0 0 213.689 3.003 10 0 BGAERN C[C@@H](O)c1nc2ccc(Cl)cc2s1 ZINC000045237603 176000785 /nfs/dbraw/zinc/00/07/85/176000785.db2.gz CZABSVFSUYBXED-RXMQYKEDSA-N 0 0 213.689 3.003 10 0 BGAERN CC[C@@H](C)Oc1ccc2nc(N)sc2c1 ZINC000045237657 640517268 /nfs/dbraw/zinc/51/72/68/640517268.db2.gz RUIDVZJNQVPPNA-SSDOTTSWSA-N 0 0 222.313 3.056 10 0 BGAERN CC[C@H](C)Oc1ccc2nc(N)sc2c1 ZINC000045237658 640515584 /nfs/dbraw/zinc/51/55/84/640515584.db2.gz RUIDVZJNQVPPNA-ZETCQYMHSA-N 0 0 222.313 3.056 10 0 BGAERN Cc1cc(-c2nc3ccccc3s2)on1 ZINC000045237684 343526885 /nfs/dbraw/zinc/52/68/85/343526885.db2.gz MLAXOAVBJMLYHI-UHFFFAOYSA-N 0 0 216.265 3.260 10 0 BGAERN Nc1nc2c3ccsc3ccc2s1 ZINC000045237795 181791923 /nfs/dbraw/zinc/79/19/23/181791923.db2.gz XCRLDXSXPPQHIB-UHFFFAOYSA-N 0 0 206.295 3.093 10 0 BGAERN c1nc2c(s1)C1=Nc3ccccc3C1=CC2 ZINC000045237843 384382641 /nfs/dbraw/zinc/38/26/41/384382641.db2.gz WNNHCGBPBGMFOQ-UHFFFAOYSA-N 0 0 224.288 3.217 10 0 BGAERN c1nc(-c2ccc3ncsc3c2)cs1 ZINC000045237860 343527081 /nfs/dbraw/zinc/52/70/81/343527081.db2.gz BXEVCFBXOXARGM-UHFFFAOYSA-N 0 0 218.306 3.420 10 0 BGAERN Cc1c2sc(N)nc2c(C(C)C)cc1O ZINC000045237899 177620859 /nfs/dbraw/zinc/62/08/59/177620859.db2.gz MLDWIORGJFRLMA-UHFFFAOYSA-N 0 0 222.313 3.016 10 0 BGAERN c1nc2c(ccc3c2N=CCS3)s1 ZINC000045238050 187434811 /nfs/dbraw/zinc/43/48/11/187434811.db2.gz DHARJEZKGHOVNR-UHFFFAOYSA-N 0 0 206.295 3.104 10 0 BGAERN c1nc2ccc3c(c2s1)N=CCS3 ZINC000045238052 384382791 /nfs/dbraw/zinc/38/27/91/384382791.db2.gz DSROEEATNMMXBF-UHFFFAOYSA-N 0 0 206.295 3.104 10 0 BGAERN c1nc2cc3c(cc2s1)N=CCS3 ZINC000045238055 384382976 /nfs/dbraw/zinc/38/29/76/384382976.db2.gz KIBVUYYZAYQRAH-UHFFFAOYSA-N 0 0 206.295 3.104 10 0 BGAERN CCC(=O)c1ccc2nc(C)sc2c1 ZINC000045238095 168257774 /nfs/dbraw/zinc/25/77/74/168257774.db2.gz LTUYVFGBLBBLNE-UHFFFAOYSA-N 0 0 205.282 3.197 10 0 BGAERN CCC(=O)c1ccc2sc(C)nc2c1 ZINC000045238097 168257079 /nfs/dbraw/zinc/25/70/79/168257079.db2.gz SMRGAWSDFKIKJS-UHFFFAOYSA-N 0 0 205.282 3.197 10 0 BGAERN CCC[C@H](O)c1ccc2sc(C)nc2c1 ZINC000045238105 343527217 /nfs/dbraw/zinc/52/72/17/343527217.db2.gz RMGMFLLVDLSVCQ-NSHDSACASA-N 0 0 221.325 3.438 10 0 BGAERN CCC[C@@H](O)c1ccc2sc(C)nc2c1 ZINC000045238106 169412812 /nfs/dbraw/zinc/41/28/12/169412812.db2.gz RMGMFLLVDLSVCQ-LLVKDONJSA-N 0 0 221.325 3.438 10 0 BGAERN CC[C@H](O)c1ccc2sc(C)nc2c1 ZINC000045238111 343527074 /nfs/dbraw/zinc/52/70/74/343527074.db2.gz CILPNRMPCIUOMF-JTQLQIEISA-N 0 0 207.298 3.048 10 0 BGAERN CC[C@@H](O)c1ccc2sc(C)nc2c1 ZINC000045238112 170939208 /nfs/dbraw/zinc/93/92/08/170939208.db2.gz CILPNRMPCIUOMF-SNVBAGLBSA-N 0 0 207.298 3.048 10 0 BGAERN CN(C)c1nc2cc(Cl)ccc2s1 ZINC000045238135 343527072 /nfs/dbraw/zinc/52/70/72/343527072.db2.gz XYQMLNSDRBTJOS-UHFFFAOYSA-N 0 0 212.705 3.016 10 0 BGAERN CC(=S)Nc1ccc2nc(C)sc2c1 ZINC000045238146 187269287 /nfs/dbraw/zinc/26/92/87/187269287.db2.gz HCVHFIUZVBRPHC-UHFFFAOYSA-N 0 0 222.338 3.364 10 0 BGAERN COc1cccc2sc(SC)nc21 ZINC000045238163 175308536 /nfs/dbraw/zinc/30/85/36/175308536.db2.gz UKZXPSOPXQAOOX-UHFFFAOYSA-N 0 0 211.311 3.027 10 0 BGAERN COc1cccc2nc(SC)sc21 ZINC000045238180 175307786 /nfs/dbraw/zinc/30/77/86/175307786.db2.gz VSYQXFCBXNWWHS-UHFFFAOYSA-N 0 0 211.311 3.027 10 0 BGAERN COc1ccc2nc(SC)sc2c1 ZINC000045238195 175229231 /nfs/dbraw/zinc/22/92/31/175229231.db2.gz BAVPPRHBRBTVAS-UHFFFAOYSA-N 0 0 211.311 3.027 10 0 BGAERN CCOCCc1ccc2nc(C)sc2c1 ZINC000045238209 384383938 /nfs/dbraw/zinc/38/39/38/384383938.db2.gz KVTRRHUBFBPSFV-UHFFFAOYSA-N 0 0 221.325 3.184 10 0 BGAERN c1cc(-n2cnc3ccccc32)cs1 ZINC000045238531 183456381 /nfs/dbraw/zinc/45/63/81/183456381.db2.gz APJOSWNBAWMWKX-UHFFFAOYSA-N 0 0 200.266 3.087 10 0 BGAERN O=c1cc(Cl)sn1-c1cccc(Cl)c1 ZINC000045285529 182994214 /nfs/dbraw/zinc/99/42/14/182994214.db2.gz NSHFBMJAFSKJIJ-UHFFFAOYSA-N 0 0 246.118 3.206 10 0 BGAERN CCCNc1ccc(O)c2ccccc12 ZINC000045285727 169294780 /nfs/dbraw/zinc/29/47/80/169294780.db2.gz FDQDPQDUXWRNKT-UHFFFAOYSA-N 0 0 201.269 3.367 10 0 in-vivo BGAERN CC(C)Nc1ccc(O)c2ccccc12 ZINC000045298448 167147465 /nfs/dbraw/zinc/14/74/65/167147465.db2.gz TWBKFLLEYLZFHH-UHFFFAOYSA-N 0 0 201.269 3.366 10 0 in-vivo BGAERN Cc1c(Br)cnc(Cl)c1Cl ZINC000045329600 177555635 /nfs/dbraw/zinc/55/56/35/177555635.db2.gz UADWMSHLDIGJIF-UHFFFAOYSA-N 0 0 240.915 3.459 10 0 BGAERN Cc1cc2cc(O)cc3oc(C)cc(n1)c23 ZINC000045358090 178295458 /nfs/dbraw/zinc/29/54/58/178295458.db2.gz PEFIRMBVFBVVGZ-UHFFFAOYSA-N 0 0 213.236 3.303 10 0 in-vitro BGAERN C[C@H](NC(=O)C(C)(C)C)c1cc(F)ccc1F ZINC000045414658 411146802 /nfs/dbraw/zinc/14/68/02/411146802.db2.gz MMPDZNAEYRXJKD-QMMMGPOBSA-N 0 0 241.281 3.188 10 0 BGAERN C[C@@H](NC(=O)C(C)(C)C)c1cc(F)ccc1F ZINC000045414659 411146871 /nfs/dbraw/zinc/14/68/71/411146871.db2.gz MMPDZNAEYRXJKD-MRVPVSSYSA-N 0 0 241.281 3.188 10 0 BGAERN CC(C)=CC(=O)N[C@@H](C)c1cc(F)ccc1F ZINC000045415027 640555520 /nfs/dbraw/zinc/55/55/20/640555520.db2.gz PNIBHZXKQQBMLV-VIFPVBQESA-N 0 0 239.265 3.108 10 0 BGAERN CC(C)=CC(=O)N[C@H](C)c1cc(F)ccc1F ZINC000045415028 640554058 /nfs/dbraw/zinc/55/40/58/640554058.db2.gz PNIBHZXKQQBMLV-SECBINFHSA-N 0 0 239.265 3.108 10 0 BGAERN CNC(=O)Oc1cccc(-c2ccccc2)c1 ZINC000045495088 173293414 /nfs/dbraw/zinc/29/34/14/173293414.db2.gz NYOGSYRWQAQOKA-UHFFFAOYSA-N 0 0 227.263 3.072 10 0 in-vivo BGAERN CCOc1cc(-c2ccccc2)ns1 ZINC000045805664 170515654 /nfs/dbraw/zinc/51/56/54/170515654.db2.gz RWVSOHHDZHALON-UHFFFAOYSA-N 0 0 205.282 3.209 10 0 BGAERN CCOc1ccc2c(=S)cc[nH]c2c1 ZINC000045805685 170567361 /nfs/dbraw/zinc/56/73/61/170567361.db2.gz GDQUCFPNNYQZQC-UHFFFAOYSA-N 0 0 205.282 3.296 10 0 BGAERN CCc1cc(CC)c(-c2ccccn2)[nH]1 ZINC000045806062 171757166 /nfs/dbraw/zinc/75/71/66/171757166.db2.gz LJOMJNKFFKWTRC-UHFFFAOYSA-N 0 0 200.285 3.202 10 0 BGAERN CCc1c(C)[nH]c(-c2ccccn2)c1C ZINC000045806073 343534395 /nfs/dbraw/zinc/53/43/95/343534395.db2.gz PQULVJSSDBOKAP-UHFFFAOYSA-N 0 0 200.285 3.256 10 0 BGAERN CCCc1[nH]c(CC)c(C)c1C(=O)OCC ZINC000045806375 188326312 /nfs/dbraw/zinc/32/63/12/188326312.db2.gz ZTQBIVOKHFGLFC-UHFFFAOYSA-N 0 0 223.316 3.015 10 0 BGAERN CCCc1[nH]c(C)c(C(=O)OCC)c1CC ZINC000045806377 188326499 /nfs/dbraw/zinc/32/64/99/188326499.db2.gz BXQCOJMQDBALPI-UHFFFAOYSA-N 0 0 223.316 3.015 10 0 BGAERN CCCCc1c[nH]c(CC)c1C(=O)OCC ZINC000045806380 169017975 /nfs/dbraw/zinc/01/79/75/169017975.db2.gz PLQOBRLVLOVTJE-UHFFFAOYSA-N 0 0 223.316 3.096 10 0 BGAERN COc1ccc(CCc2ccc(C)[nH]2)cc1 ZINC000045809124 175093430 /nfs/dbraw/zinc/09/34/30/175093430.db2.gz TWKLDVGWEXSPLV-UHFFFAOYSA-N 0 0 215.296 3.117 10 0 BGAERN Cc1ccc(O)c(Cc2ccccc2C=O)c1 ZINC000045809386 187269019 /nfs/dbraw/zinc/26/90/19/187269019.db2.gz RZCNMUOQIZTEID-UHFFFAOYSA-N 0 0 226.275 3.104 10 0 BGAERN c1cc2cc(-c3ccsc3)cnc2[nH]1 ZINC000045815041 183374760 /nfs/dbraw/zinc/37/47/60/183374760.db2.gz LTBFBIDBKSSDEI-UHFFFAOYSA-N 0 0 200.266 3.291 10 0 BGAERN c1csc(-c2cnc3[nH]ccc3c2)c1 ZINC000045815043 183514814 /nfs/dbraw/zinc/51/48/14/183514814.db2.gz XALJIPKFNJMBRK-UHFFFAOYSA-N 0 0 200.266 3.291 10 0 BGAERN CC(C)Oc1ccc2ccccc2c1N ZINC000045817186 167304730 /nfs/dbraw/zinc/30/47/30/167304730.db2.gz YYEFTCMEXOSWKR-UHFFFAOYSA-N 0 0 201.269 3.209 10 0 BGAERN CCOC(=O)c1c(C)noc1C1CCCCC1 ZINC000045817312 170288643 /nfs/dbraw/zinc/28/86/43/170288643.db2.gz LLAVMYVOPHGRHS-UHFFFAOYSA-N 0 0 237.299 3.207 10 0 BGAERN Oc1ccccc1C(c1ccc[nH]1)c1ccc[nH]1 ZINC000045817564 183302419 /nfs/dbraw/zinc/30/24/19/183302419.db2.gz BWHPSGWGIIZVPY-UHFFFAOYSA-N 0 0 238.290 3.229 10 0 BGAERN CC(C)CSCC(=S)N1CCCCC1 ZINC000045817742 187951293 /nfs/dbraw/zinc/95/12/93/187951293.db2.gz ILMATDRKUGDMNU-UHFFFAOYSA-N 0 0 231.430 3.189 10 0 BGAERN Cc1ccccc1-c1noc(-c2ccc[nH]2)n1 ZINC000045893754 179239847 /nfs/dbraw/zinc/23/98/47/179239847.db2.gz FRXJPVNOFUROHJ-UHFFFAOYSA-N 0 0 225.251 3.040 10 0 BGAERN Cc1cccc(-c2noc(-c3ccc[nH]3)n2)c1 ZINC000045893775 178998893 /nfs/dbraw/zinc/99/88/93/178998893.db2.gz ZLEJOHDSXWTGGI-UHFFFAOYSA-N 0 0 225.251 3.040 10 0 BGAERN CCCc1noc(-c2cc3ccccc3[nH]2)n1 ZINC000045893825 169599939 /nfs/dbraw/zinc/59/99/39/169599939.db2.gz VJRSYROQQHZMCP-UHFFFAOYSA-N 0 0 227.267 3.170 10 0 BGAERN CCCc1noc(-c2c[nH]c3ccccc23)n1 ZINC000045893919 169600106 /nfs/dbraw/zinc/60/01/06/169600106.db2.gz UYRZQVUPDDFOQC-UHFFFAOYSA-N 0 0 227.267 3.170 10 0 BGAERN Oc1ccc(-c2nc(-c3cccs3)no2)cc1 ZINC000045894276 183263853 /nfs/dbraw/zinc/26/38/53/183263853.db2.gz GCYJDMBLQPNCBL-UHFFFAOYSA-N 0 0 244.275 3.171 10 0 BGAERN CCCc1noc(Cc2c[nH]c3ccccc23)n1 ZINC000045894498 359743239 /nfs/dbraw/zinc/74/32/39/359743239.db2.gz 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CCc1nc(-c2ccncc2)nc(Cl)c1C ZINC000045955968 171939607 /nfs/dbraw/zinc/93/96/07/171939607.db2.gz WCTCJUSTCYBODK-UHFFFAOYSA-N 0 0 233.702 3.063 10 0 BGAERN CCc1nc(-c2cccnc2)nc(Cl)c1C ZINC000045955980 171939422 /nfs/dbraw/zinc/93/94/22/171939422.db2.gz CTBRHIKTYHEBOE-UHFFFAOYSA-N 0 0 233.702 3.063 10 0 BGAERN CCc1cc(=S)[nH]c(-c2cccc(F)c2)n1 ZINC000045956107 171773482 /nfs/dbraw/zinc/77/34/82/171773482.db2.gz ROIFCGPQJGZSOP-UHFFFAOYSA-N 0 0 234.299 3.134 10 0 BGAERN CCc1c(C)nc(-c2cccc(F)c2)[nH]c1=S ZINC000045956121 171740831 /nfs/dbraw/zinc/74/08/31/171740831.db2.gz BMRGXEKDUURRQO-UHFFFAOYSA-N 0 0 248.326 3.442 10 0 BGAERN CCc1nc(-c2cccc(F)c2)[nH]c(=S)c1C ZINC000045956125 171938789 /nfs/dbraw/zinc/93/87/89/171938789.db2.gz RFDOEXVUENFJKI-UHFFFAOYSA-N 0 0 248.326 3.442 10 0 BGAERN COc1ccc(-c2nc(C)c(C)c(=S)[nH]2)cc1 ZINC000045956160 175038516 /nfs/dbraw/zinc/03/85/16/175038516.db2.gz JJEDOSLGLLKADC-UHFFFAOYSA-N 0 0 246.335 3.432 10 0 BGAERN CCCC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000046294131 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BGAERN Oc1ccc(-c2cccnc2)cc1Cl ZINC000047216523 183264879 /nfs/dbraw/zinc/26/48/79/183264879.db2.gz UQBLDLZPORHYDZ-UHFFFAOYSA-N 0 0 205.644 3.108 10 0 BGAERN Oc1ccc(-c2ccncc2)cc1Cl ZINC000047216525 183264258 /nfs/dbraw/zinc/26/42/58/183264258.db2.gz KNDCCPWSVBLNGX-UHFFFAOYSA-N 0 0 205.644 3.108 10 0 BGAERN Oc1cc(-c2cccnc2)ccc1Cl ZINC000047216527 183256967 /nfs/dbraw/zinc/25/69/67/183256967.db2.gz AEYLFMHSYXVVRV-UHFFFAOYSA-N 0 0 205.644 3.108 10 0 BGAERN Oc1cc(-c2ccncc2)ccc1Cl ZINC000047216529 183256871 /nfs/dbraw/zinc/25/68/71/183256871.db2.gz SAYOLRNCOIOXHM-UHFFFAOYSA-N 0 0 205.644 3.108 10 0 BGAERN O=Cc1cc(-c2ccncc2)ccc1Cl ZINC000047216659 182860829 /nfs/dbraw/zinc/86/08/29/182860829.db2.gz VBHOFHFCEXOJAY-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN Nc1ccc(-c2cccnc2)cc1C(F)(F)F ZINC000047216966 387151903 /nfs/dbraw/zinc/15/19/03/387151903.db2.gz DCFVBCKDPMOVQU-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN Nc1ccc(-c2ccncc2)cc1C(F)(F)F ZINC000047216968 323939605 /nfs/dbraw/zinc/93/96/05/323939605.db2.gz XPFLGCCWTGWXPS-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN Nc1cc(C(F)(F)F)ccc1-c1cccnc1 ZINC000047216978 181679499 /nfs/dbraw/zinc/67/94/99/181679499.db2.gz JMJRNKHNVRWDBU-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1 ZINC000047216982 643580419 /nfs/dbraw/zinc/58/04/19/643580419.db2.gz XXWROHQYBNXJLO-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN Nc1cc(-c2ccncc2)cc(C(F)(F)F)c1 ZINC000047216984 643579246 /nfs/dbraw/zinc/57/92/46/643579246.db2.gz ZHWDUTIBYNGXPA-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN CC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000047576985 343563527 /nfs/dbraw/zinc/56/35/27/343563527.db2.gz BIDAVEIEEBTAEA-NEPJUHHUSA-N 0 0 234.343 3.154 10 0 BGAERN CC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000047576986 171330337 /nfs/dbraw/zinc/33/03/37/171330337.db2.gz BIDAVEIEEBTAEA-RYUDHWBXSA-N 0 0 234.343 3.154 10 0 BGAERN CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000047662127 411161972 /nfs/dbraw/zinc/16/19/72/411161972.db2.gz JHABMPYNVWZSOD-KOLCDFICSA-N 0 0 238.331 3.137 10 0 BGAERN CCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000047662128 411162086 /nfs/dbraw/zinc/16/20/86/411162086.db2.gz JHABMPYNVWZSOD-ONGXEEELSA-N 0 0 238.331 3.137 10 0 BGAERN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000047662129 411161980 /nfs/dbraw/zinc/16/19/80/411161980.db2.gz JHABMPYNVWZSOD-MWLCHTKSSA-N 0 0 238.331 3.137 10 0 BGAERN CCC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000047662130 411162023 /nfs/dbraw/zinc/16/20/23/411162023.db2.gz JHABMPYNVWZSOD-GXSJLCMTSA-N 0 0 238.331 3.137 10 0 BGAERN Cc1ccccc1CS[C@@H]1CCCC1=O ZINC000047820287 539005730 /nfs/dbraw/zinc/00/57/30/539005730.db2.gz DENMIEDHWXJWKM-CYBMUJFWSA-N 0 0 220.337 3.350 10 0 BGAERN Cc1ccccc1CS[C@H]1CCCC1=O ZINC000047820291 539005722 /nfs/dbraw/zinc/00/57/22/539005722.db2.gz DENMIEDHWXJWKM-ZDUSSCGKSA-N 0 0 220.337 3.350 10 0 BGAERN CC(=O)COc1cccc(Oc2ccccc2)c1 ZINC000047821174 343566312 /nfs/dbraw/zinc/56/63/12/343566312.db2.gz YKIUROZRWRIJFD-UHFFFAOYSA-N 0 0 242.274 3.447 10 0 BGAERN Nc1c(Cl)cc(F)cc1C(F)(F)F ZINC000047843949 343566338 /nfs/dbraw/zinc/56/63/38/343566338.db2.gz RUZIHSFQQGFKRE-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN Nc1c(F)cc(Cl)cc1C(F)(F)F ZINC000047844103 343566291 /nfs/dbraw/zinc/56/62/91/343566291.db2.gz VBVWCWKGSLSWAL-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN Cc1cc(Cl)cc(C(F)(F)F)c1N ZINC000047844135 178063444 /nfs/dbraw/zinc/06/34/44/178063444.db2.gz MDEUAVQNTUEOTB-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN Cc1csc2ccc(Cl)cc2c1=O ZINC000047844190 384468521 /nfs/dbraw/zinc/46/85/21/384468521.db2.gz CRMQGFYIVQOSFT-UHFFFAOYSA-N 0 0 210.685 3.223 10 0 BGAERN COC(=O)c1ccc(C(C)C)c2c1OCC=C2 ZINC000047844987 384467470 /nfs/dbraw/zinc/46/74/70/384467470.db2.gz KCMDAEYTZVMEEX-UHFFFAOYSA-N 0 0 232.279 3.002 10 0 BGAERN CC[C@@H]1CCc2nc(Cl)sc2C1 ZINC000047845023 171060234 /nfs/dbraw/zinc/06/02/34/171060234.db2.gz IYKNYZDAQRCMRI-ZCFIWIBFSA-N 0 0 201.722 3.311 10 0 BGAERN CC[C@H]1CCc2nc(Cl)sc2C1 ZINC000047845025 171648835 /nfs/dbraw/zinc/64/88/35/171648835.db2.gz IYKNYZDAQRCMRI-LURJTMIESA-N 0 0 201.722 3.311 10 0 BGAERN COC(=O)[C@@H](C)Oc1cc(C)cc(C(C)C)c1 ZINC000047873781 173693101 /nfs/dbraw/zinc/69/31/01/173693101.db2.gz LYWKMTWYBKRDPF-LLVKDONJSA-N 0 0 236.311 3.059 10 0 BGAERN CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)OC ZINC000047873826 170806026 /nfs/dbraw/zinc/80/60/26/170806026.db2.gz WVCBBMPPBVXCFE-MNOVXSKESA-N 0 0 236.311 3.140 10 0 BGAERN CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)OC ZINC000047873827 171412703 /nfs/dbraw/zinc/41/27/03/171412703.db2.gz WVCBBMPPBVXCFE-QWRGUYRKSA-N 0 0 236.311 3.140 10 0 BGAERN C/C=C/c1ccccc1OCC(=O)OCCCC ZINC000048022416 188297445 /nfs/dbraw/zinc/29/74/45/188297445.db2.gz KESFRMSRLGGGFH-XBXARRHUSA-N 0 0 248.322 3.442 10 0 BGAERN CC(C)(C)C1CCC(C(=O)NC2CC2)CC1 ZINC000048089527 343570897 /nfs/dbraw/zinc/57/08/97/343570897.db2.gz GAOGDPZCUWNUEV-UHFFFAOYSA-N 0 0 223.360 3.118 10 0 BGAERN CC(=O)COc1ccccc1Cc1ccccc1 ZINC000048101543 343571330 /nfs/dbraw/zinc/57/13/30/343571330.db2.gz UFWZFIIGVWRKGF-UHFFFAOYSA-N 0 0 240.302 3.245 10 0 BGAERN CCN(c1ccccc1C)[C@H]1CCCC[C@@H]1O ZINC000048235484 169943755 /nfs/dbraw/zinc/94/37/55/169943755.db2.gz BUJMJSSAUGOKCK-GJZGRUSLSA-N 0 0 233.355 3.125 10 0 BGAERN Cc1cccc(C)c1OC[C@@H](O)c1ccccc1 ZINC000048235756 179048266 /nfs/dbraw/zinc/04/82/66/179048266.db2.gz KCUCKLLGQISPSY-OAHLLOKOSA-N 0 0 242.318 3.416 10 0 BGAERN CC[C@H](C)OCc1ccc(Cl)c(N)c1 ZINC000048263928 171355254 /nfs/dbraw/zinc/35/52/54/171355254.db2.gz MRHWDYKMHHZPMN-QMMMGPOBSA-N 0 0 213.708 3.237 10 0 BGAERN CC[C@@H](C)OCc1cc(N)ccc1Cl ZINC000048263930 170765017 /nfs/dbraw/zinc/76/50/17/170765017.db2.gz OCCBNRQFFZZQFI-MRVPVSSYSA-N 0 0 213.708 3.237 10 0 BGAERN CC[C@H](C)OCc1cc(N)ccc1Cl ZINC000048263932 171355565 /nfs/dbraw/zinc/35/55/65/171355565.db2.gz OCCBNRQFFZZQFI-QMMMGPOBSA-N 0 0 213.708 3.237 10 0 BGAERN CC[C@H](C)OCc1ccc(N)c2cccnc12 ZINC000048263994 171355042 /nfs/dbraw/zinc/35/50/42/171355042.db2.gz BPLNBONTYNQXRE-JTQLQIEISA-N 0 0 230.311 3.132 10 0 BGAERN CC[C@H](C)OCC(=O)c1ccc(C)cc1OC ZINC000048265033 171355485 /nfs/dbraw/zinc/35/54/85/171355485.db2.gz VYOIUCAASOSGQV-NSHDSACASA-N 0 0 236.311 3.001 10 0 BGAERN CC[C@H](C)OCc1cc(C(C)=O)ccc1OC ZINC000048265039 171355025 /nfs/dbraw/zinc/35/50/25/171355025.db2.gz MMDXXARNKMFTPP-JTQLQIEISA-N 0 0 236.311 3.213 10 0 BGAERN CC[C@H](C)OCCOc1ccccc1C(C)=O ZINC000048265046 171355623 /nfs/dbraw/zinc/35/56/23/171355623.db2.gz BGWGWJCVMLTZKE-NSHDSACASA-N 0 0 236.311 3.083 10 0 BGAERN CC[C@H](C)OCC(=O)c1coc2ccccc12 ZINC000048265186 171355570 /nfs/dbraw/zinc/35/55/70/171355570.db2.gz MXYOMEQNVQUTMS-JTQLQIEISA-N 0 0 232.279 3.431 10 0 BGAERN CC[C@H](C)OCC(=O)c1cc2ccccc2o1 ZINC000048265190 171355418 /nfs/dbraw/zinc/35/54/18/171355418.db2.gz SYOFVCOILIEFHI-JTQLQIEISA-N 0 0 232.279 3.431 10 0 BGAERN CC[C@@H](C)OCC(=O)c1ccc2c(c1)CCC2 ZINC000048265288 170765369 /nfs/dbraw/zinc/76/53/69/170765369.db2.gz ZWBMASLTIRNXJU-LLVKDONJSA-N 0 0 232.323 3.173 10 0 BGAERN CC[C@H](C)OCC(=O)c1ccc2c(c1)CCC2 ZINC000048265290 171355245 /nfs/dbraw/zinc/35/52/45/171355245.db2.gz ZWBMASLTIRNXJU-NSHDSACASA-N 0 0 232.323 3.173 10 0 BGAERN CC[C@H](C)OCC(=O)c1cc(C)n(CC)c1C ZINC000048265295 171355089 /nfs/dbraw/zinc/35/50/89/171355089.db2.gz URDPRGBKGWFWDA-NSHDSACASA-N 0 0 237.343 3.123 10 0 BGAERN CC[C@H](C)OC(=O)c1cc2ccccc2cc1N ZINC000048265381 171351517 /nfs/dbraw/zinc/35/15/17/171351517.db2.gz IYBBSOLOEWIGRU-JTQLQIEISA-N 0 0 243.306 3.377 10 0 BGAERN CC[C@H](C)OC(=O)c1cccc2c1CCCN2 ZINC000048265664 171351449 /nfs/dbraw/zinc/35/14/49/171351449.db2.gz SQJAQEVAGZEWRY-JTQLQIEISA-N 0 0 233.311 3.000 10 0 BGAERN Cc1ccccc1CNc1ccc(N)cc1C ZINC000048265805 179285186 /nfs/dbraw/zinc/28/51/86/179285186.db2.gz OXSPLOKKGBUOKG-UHFFFAOYSA-N 0 0 226.323 3.498 10 0 BGAERN Cc1ccccc1CNc1ccc(N)c(C)c1 ZINC000048265814 178173089 /nfs/dbraw/zinc/17/30/89/178173089.db2.gz TZDJZDZFAYPZSO-UHFFFAOYSA-N 0 0 226.323 3.498 10 0 BGAERN Cc1ccccc1CNc1ccccc1N ZINC000048265834 179286254 /nfs/dbraw/zinc/28/62/54/179286254.db2.gz MHGXYBDXVPPMGS-UHFFFAOYSA-N 0 0 212.296 3.189 10 0 BGAERN Cc1ccccc1CNc1cccc(F)c1N ZINC000048265837 179286412 /nfs/dbraw/zinc/28/64/12/179286412.db2.gz KKIOMTCYUSVDKD-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1ccccc1CNc1cc(N)cc(F)c1 ZINC000048265838 179283911 /nfs/dbraw/zinc/28/39/11/179283911.db2.gz FQGLSDVZRHJMOX-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1ccccc1CNc1ccc(F)cc1N ZINC000048265843 179285486 /nfs/dbraw/zinc/28/54/86/179285486.db2.gz HRLKKQCZTISZQQ-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1ccccc1CNc1ccc(N)cc1F ZINC000048265847 179286319 /nfs/dbraw/zinc/28/63/19/179286319.db2.gz KSDPTTBNDXMODY-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1ccccc1CN1C(=S)N=NC1C(C)C ZINC000048265916 179293521 /nfs/dbraw/zinc/29/35/21/179293521.db2.gz VRYWZYCAZBTHRD-UHFFFAOYSA-N 0 0 247.367 3.047 10 0 BGAERN Cc1cccc(CNc2ccc(C)cc2N)c1 ZINC000048266139 187434195 /nfs/dbraw/zinc/43/41/95/187434195.db2.gz YLDOKVBOJCVIAE-UHFFFAOYSA-N 0 0 226.323 3.498 10 0 BGAERN Cc1cccc(CNc2ccc(N)c(C)c2)c1 ZINC000048266146 187951427 /nfs/dbraw/zinc/95/14/27/187951427.db2.gz GZPUMCIVESVRBP-UHFFFAOYSA-N 0 0 226.323 3.498 10 0 BGAERN Cc1cccc(CNc2ccccc2N)c1 ZINC000048266165 342976587 /nfs/dbraw/zinc/97/65/87/342976587.db2.gz JVEJNMZEDKXYDI-UHFFFAOYSA-N 0 0 212.296 3.189 10 0 BGAERN Cc1cccc(CNc2cc(N)cc(F)c2)c1 ZINC000048266169 179102084 /nfs/dbraw/zinc/10/20/84/179102084.db2.gz FMLUGRNEOZMMEZ-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1cccc(CNc2ccc(F)cc2N)c1 ZINC000048266174 188297776 /nfs/dbraw/zinc/29/77/76/188297776.db2.gz ROZLOOHNIABGIZ-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1cccc(CNc2ccc(N)cc2F)c1 ZINC000048266178 188481767 /nfs/dbraw/zinc/48/17/67/188481767.db2.gz LHHRNTCNKJIDQW-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1csc(NCc2cccc(C)c2)n1 ZINC000048266236 188327396 /nfs/dbraw/zinc/32/73/96/188327396.db2.gz JGNAVSFTQAAYKP-UHFFFAOYSA-N 0 0 218.325 3.372 10 0 BGAERN Cc1cccc(CN2C(=S)N=NC2C(C)C)c1 ZINC000048266255 179109169 /nfs/dbraw/zinc/10/91/69/179109169.db2.gz VKUBCRJPDRSLMX-UHFFFAOYSA-N 0 0 247.367 3.047 10 0 BGAERN Cc1ccccc1-c1nc(N)c2ccccc2n1 ZINC000048330516 179238196 /nfs/dbraw/zinc/23/81/96/179238196.db2.gz IVIYZWMJZMMPCX-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN Nc1nc(-c2ccccc2F)nc2ccccc12 ZINC000048330530 181777274 /nfs/dbraw/zinc/77/72/74/181777274.db2.gz UQVNGIWZHOYKAV-UHFFFAOYSA-N 0 0 239.253 3.018 10 0 BGAERN Cc1cc2nc(C3CCC3)[nH]c2cc1C ZINC000048356692 178301245 /nfs/dbraw/zinc/30/12/45/178301245.db2.gz PPUHFJJZODGTML-UHFFFAOYSA-N 0 0 200.285 3.447 10 0 BGAERN Cc1cc2nc(-c3ccoc3)[nH]c2cc1C ZINC000048356734 178300059 /nfs/dbraw/zinc/30/00/59/178300059.db2.gz RSFFKMHITLRWEN-UHFFFAOYSA-N 0 0 212.252 3.440 10 0 BGAERN Cc1cc2nc(Cc3ccncc3)[nH]c2cc1C ZINC000048356738 178301458 /nfs/dbraw/zinc/30/14/58/178301458.db2.gz NFZFQYAXBSNEPZ-UHFFFAOYSA-N 0 0 237.306 3.166 10 0 BGAERN Cc1cc2nc(-c3ccco3)[nH]c2cc1C ZINC000048356747 178300455 /nfs/dbraw/zinc/30/04/55/178300455.db2.gz WMUCHUPLOSUDPQ-UHFFFAOYSA-N 0 0 212.252 3.440 10 0 BGAERN Cc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)o1 ZINC000048356801 178337300 /nfs/dbraw/zinc/33/73/00/178337300.db2.gz NKQNKMUAZBBUCE-UHFFFAOYSA-N 0 0 234.205 3.410 10 0 BGAERN CC(C)(C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000048356846 188153210 /nfs/dbraw/zinc/15/32/10/188153210.db2.gz MFWIFAKZQVAVBR-UHFFFAOYSA-N 0 0 210.227 3.139 10 0 BGAERN CCCCc1nc2cc(F)c(F)cc2[nH]1 ZINC000048356848 169028143 /nfs/dbraw/zinc/02/81/43/169028143.db2.gz JSEBXCLFGGUCRS-UHFFFAOYSA-N 0 0 210.227 3.184 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)NC(C)C)cc1 ZINC000048389160 171828896 /nfs/dbraw/zinc/82/88/96/171828896.db2.gz KSOCKZSKOHCVBB-LLVKDONJSA-N 0 0 234.343 3.018 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)NC(C)C)cc1 ZINC000048389161 384487186 /nfs/dbraw/zinc/48/71/86/384487186.db2.gz KSOCKZSKOHCVBB-NSHDSACASA-N 0 0 234.343 3.018 10 0 BGAERN C/C=C/c1ccc(O[C@@H](C)C(C)=O)c(OC)c1 ZINC000048404011 384488343 /nfs/dbraw/zinc/48/83/43/384488343.db2.gz IXVHUWPVQWIYIN-QRGHLMKCSA-N 0 0 234.295 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CC(C)c1cccc(NCCn2cccn2)c1 ZINC000049314229 167633619 /nfs/dbraw/zinc/63/36/19/167633619.db2.gz VMRLEVQHNOERNP-UHFFFAOYSA-N 0 0 229.327 3.119 10 0 BGAERN Cc1cccc(NCCCn2ccnc2)c1C ZINC000049327843 179145464 /nfs/dbraw/zinc/14/54/64/179145464.db2.gz POOVXDHINHYHKU-UHFFFAOYSA-N 0 0 229.327 3.002 10 0 BGAERN Cc1ccc(NCCCn2ccnc2)c(Cl)c1 ZINC000049327878 178759081 /nfs/dbraw/zinc/75/90/81/178759081.db2.gz UVYPXZXWEXFBTG-UHFFFAOYSA-N 0 0 249.745 3.347 10 0 BGAERN Cc1nccn1CCNc1ccc(C)c(Cl)c1 ZINC000049329709 178760516 /nfs/dbraw/zinc/76/05/16/178760516.db2.gz HRTPBEMMFXCEAK-UHFFFAOYSA-N 0 0 249.745 3.265 10 0 BGAERN CSc1ccc(NCCn2ccnc2C)cc1 ZINC000049329773 187435386 /nfs/dbraw/zinc/43/53/86/187435386.db2.gz VSOQRPYRPVIQLY-UHFFFAOYSA-N 0 0 247.367 3.026 10 0 BGAERN Cc1nccn1CCNc1ccccc1C(C)C ZINC000049329784 180262466 /nfs/dbraw/zinc/26/24/66/180262466.db2.gz PUCAWNFEINTSMZ-UHFFFAOYSA-N 0 0 243.354 3.427 10 0 BGAERN Cc1nccn1CCNc1ccc(C(C)C)cc1 ZINC000049329819 180263512 /nfs/dbraw/zinc/26/35/12/180263512.db2.gz ZYOSLGGVHLGDMS-UHFFFAOYSA-N 0 0 243.354 3.427 10 0 BGAERN Cc1nccn1CCNc1cccc(C(C)C)c1 ZINC000049330004 180262083 /nfs/dbraw/zinc/26/20/83/180262083.db2.gz KBLIKVOGMTYYAR-UHFFFAOYSA-N 0 0 243.354 3.427 10 0 BGAERN CC(C)c1nc(CSc2ccccc2N)no1 ZINC000049336362 167667143 /nfs/dbraw/zinc/66/71/43/167667143.db2.gz GEQQRJDDBKZCHX-UHFFFAOYSA-N 0 0 249.339 3.068 10 0 BGAERN CC(C)[C@@](C)(O)Cc1c(F)cccc1Cl ZINC000049346343 187981310 /nfs/dbraw/zinc/98/13/10/187981310.db2.gz HJFYHFODWICRIN-LBPRGKRZSA-N 0 0 230.710 3.429 10 0 BGAERN O=C(Cc1c(F)cccc1Cl)c1ccccn1 ZINC000049346641 182033365 /nfs/dbraw/zinc/03/33/65/182033365.db2.gz WSSABCWUFUYFSS-UHFFFAOYSA-N 0 0 249.672 3.300 10 0 BGAERN O=C(Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000049348206 182032582 /nfs/dbraw/zinc/03/25/82/182032582.db2.gz VHUKCOXTKIYAQJ-UHFFFAOYSA-N 0 0 232.229 3.390 10 0 BGAERN O[C@@H](Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000049348347 183183728 /nfs/dbraw/zinc/18/37/28/183183728.db2.gz 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/nfs/dbraw/zinc/99/50/01/171995001.db2.gz PAFWLVBVRNIZMM-UHFFFAOYSA-N 0 0 226.732 3.470 10 0 BGAERN Cc1c(C)n(CC(C)C)c2ncnc(Cl)c12 ZINC000049452985 177577171 /nfs/dbraw/zinc/57/71/71/177577171.db2.gz IEPDPSZHENHHKU-UHFFFAOYSA-N 0 0 237.734 3.358 10 0 BGAERN Cc1cc2c(cc3c(=S)[nH]nc(C)n23)s1 ZINC000049453915 178293258 /nfs/dbraw/zinc/29/32/58/178293258.db2.gz DQQAPUUCUKWLTO-UHFFFAOYSA-N 0 0 235.337 3.223 10 0 BGAERN Clc1ccccc1-c1cc2n(n1)CCCN2 ZINC000049454032 180594487 /nfs/dbraw/zinc/59/44/87/180594487.db2.gz XSNHVEUESBOWQV-UHFFFAOYSA-N 0 0 233.702 3.019 10 0 BGAERN CC(C)OC(=O)c1cc2oc3ccccc3c2[nH]1 ZINC000049454088 167172929 /nfs/dbraw/zinc/17/29/29/167172929.db2.gz LQMUPCXRVRZNFY-UHFFFAOYSA-N 0 0 243.262 3.479 10 0 BGAERN Cc1ccccc1-c1noc2ncnc(Cl)c12 ZINC000049454139 179241133 /nfs/dbraw/zinc/24/11/33/179241133.db2.gz GFQKSJUKJWOONX-UHFFFAOYSA-N 0 0 245.669 3.247 10 0 BGAERN Cc1ccc(-c2noc3ncnc(Cl)c23)cc1 ZINC000049454140 178344444 /nfs/dbraw/zinc/34/44/44/178344444.db2.gz PHRQUSQSOGFVQE-UHFFFAOYSA-N 0 0 245.669 3.247 10 0 BGAERN Cc1ccc(-c2noc3c2ncnc3Cl)cc1 ZINC000049454166 178344429 /nfs/dbraw/zinc/34/44/29/178344429.db2.gz HSFVWRWIAYYPIO-UHFFFAOYSA-N 0 0 245.669 3.247 10 0 BGAERN COCc1cccc(Nc2ccc(N)c(C)c2)c1 ZINC000049506331 174633322 /nfs/dbraw/zinc/63/33/22/174633322.db2.gz IDBMIZREMHFGOD-UHFFFAOYSA-N 0 0 242.322 3.467 10 0 BGAERN COCc1ccccc1Nc1ccc(F)cc1N ZINC000049506397 174635707 /nfs/dbraw/zinc/63/57/07/174635707.db2.gz AXRQCDXLUDRHNE-UHFFFAOYSA-N 0 0 246.285 3.298 10 0 BGAERN COCc1ccccc1Nc1ccc(N)cc1C ZINC000049506414 174635434 /nfs/dbraw/zinc/63/54/34/174635434.db2.gz RWNXRVZBKIWDKW-UHFFFAOYSA-N 0 0 242.322 3.467 10 0 BGAERN COCc1ccccc1Nc1cccc(F)c1N ZINC000049506476 174635727 /nfs/dbraw/zinc/63/57/27/174635727.db2.gz ZVIGWBIGCWLAJE-UHFFFAOYSA-N 0 0 246.285 3.298 10 0 BGAERN COCc1ccccc1Nc1cc(N)cc(F)c1 ZINC000049506478 174635498 /nfs/dbraw/zinc/63/54/98/174635498.db2.gz JTGAWMHYJUFBNW-UHFFFAOYSA-N 0 0 246.285 3.298 10 0 BGAERN CCCCOCCNc1cccc(COC)c1 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/nfs/dbraw/zinc/25/98/08/178259808.db2.gz XQBVAPXYYMAQBQ-VIFPVBQESA-N 0 0 233.340 3.328 10 0 BGAERN C[C@@H](Nc1ccncn1)c1ccccc1Cl ZINC000049509547 175935833 /nfs/dbraw/zinc/93/58/33/175935833.db2.gz XUWQTTDWMIRNGY-SECBINFHSA-N 0 0 233.702 3.303 10 0 BGAERN COCc1ccccc1-c1ccc(C=O)s1 ZINC000049510946 631884249 /nfs/dbraw/zinc/88/42/49/631884249.db2.gz XAFVHWSMCDJIAY-UHFFFAOYSA-N 0 0 232.304 3.374 10 0 BGAERN COCc1cccc(Nc2ccc(Cl)nn2)c1 ZINC000049513785 174633221 /nfs/dbraw/zinc/63/32/21/174633221.db2.gz YSGOERGJFXHTDT-UHFFFAOYSA-N 0 0 249.701 3.020 10 0 BGAERN COCc1cccc(Nc2cccc(F)n2)c1 ZINC000049513794 174633308 /nfs/dbraw/zinc/63/33/08/174633308.db2.gz MPAVNOCRCBFPLJ-UHFFFAOYSA-N 0 0 232.258 3.111 10 0 BGAERN C[C@H](Nc1ncccc1N)c1cccc(Cl)c1 ZINC000049515266 176940110 /nfs/dbraw/zinc/94/01/10/176940110.db2.gz XLOHAFCOXGDLIO-VIFPVBQESA-N 0 0 247.729 3.490 10 0 BGAERN Cc1nc(CN[C@@H](C)c2ccccc2C)oc1C ZINC000049525921 179339065 /nfs/dbraw/zinc/33/90/65/179339065.db2.gz VYYSLEHHGZYIKW-LBPRGKRZSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cc(N[C@@H](C)c2ccccc2C)ncn1 ZINC000049526231 178178120 /nfs/dbraw/zinc/17/81/20/178178120.db2.gz YZMLRBWBILDRNZ-LBPRGKRZSA-N 0 0 227.311 3.267 10 0 BGAERN Cc1ccc(N[C@@H](C)c2ccccc2C)nn1 ZINC000049526243 356475706 /nfs/dbraw/zinc/47/57/06/356475706.db2.gz MLHZJZLOHLCSSM-LBPRGKRZSA-N 0 0 227.311 3.267 10 0 BGAERN CCC[C@@](C)([NH2+][C@H](C)c1ccccc1C)C(=O)[O-] ZINC000049527973 169454630 /nfs/dbraw/zinc/45/46/30/169454630.db2.gz SPTHTMJIJUATNL-IUODEOHRSA-N 0 0 249.354 3.289 10 0 BGAERN COc1ccc(N[C@@H]2CCCC[C@@H]2OC)cc1C ZINC000049528610 175154138 /nfs/dbraw/zinc/15/41/38/175154138.db2.gz YFXAUACIUNPHDE-HIFRSBDPSA-N 0 0 249.354 3.373 10 0 BGAERN COc1ccc(N[C@H]2CCCC[C@@H]2OC)cc1C ZINC000049528611 175155793 /nfs/dbraw/zinc/15/57/93/175155793.db2.gz YFXAUACIUNPHDE-ZFWWWQNUSA-N 0 0 249.354 3.373 10 0 BGAERN COc1ccc(N[C@@H]2CCCC[C@H]2OC)cc1C ZINC000049528612 175153832 /nfs/dbraw/zinc/15/38/32/175153832.db2.gz YFXAUACIUNPHDE-UKRRQHHQSA-N 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/nfs/dbraw/zinc/07/41/05/343074105.db2.gz HDSPYLYVPXLVEE-UHFFFAOYSA-N 0 0 247.710 3.407 10 0 BGAERN Clc1nc(-c2cccnc2)nc2sccc21 ZINC000050790803 343074019 /nfs/dbraw/zinc/07/40/19/343074019.db2.gz RFRFCDXXZIUITQ-UHFFFAOYSA-N 0 0 247.710 3.407 10 0 BGAERN CCCc1nc2sccc2c(Cl)n1 ZINC000050790858 345267718 /nfs/dbraw/zinc/26/77/18/345267718.db2.gz ZPZJINIXZWWURM-UHFFFAOYSA-N 0 0 212.705 3.297 10 0 BGAERN CCNc1ccc(CN(C)c2ccccc2)cn1 ZINC000050792354 170173795 /nfs/dbraw/zinc/17/37/95/170173795.db2.gz UOZVEEXMJQMWCL-UHFFFAOYSA-N 0 0 241.338 3.150 10 0 BGAERN CCNc1ccc(COC2CCCCC2)cn1 ZINC000050830303 170173364 /nfs/dbraw/zinc/17/33/64/170173364.db2.gz RKIXYLZTMGTLGS-UHFFFAOYSA-N 0 0 234.343 3.363 10 0 BGAERN CCCNc1nc2ccccc2cc1COC ZINC000050830450 169296657 /nfs/dbraw/zinc/29/66/57/169296657.db2.gz OAWPEIODZZVYJR-UHFFFAOYSA-N 0 0 230.311 3.203 10 0 BGAERN CCNc1ccc(COc2cccc(C)c2)cn1 ZINC000050830990 170173730 /nfs/dbraw/zinc/17/37/30/170173730.db2.gz LJLBAFGMIJHIPT-UHFFFAOYSA-N 0 0 242.322 3.401 10 0 BGAERN Cc1cc(Cl)ccc1OCc1ccc(N)nc1 ZINC000050831235 178070300 /nfs/dbraw/zinc/07/03/00/178070300.db2.gz KWYPUTPLYWZMOU-UHFFFAOYSA-N 0 0 248.713 3.205 10 0 BGAERN CCNc1ccc(COc2ccc(C)cc2)cn1 ZINC000050831556 170173809 /nfs/dbraw/zinc/17/38/09/170173809.db2.gz WNPICMSBCVNZMH-UHFFFAOYSA-N 0 0 242.322 3.401 10 0 BGAERN Nc1ccc(COCc2ccccc2Cl)cn1 ZINC000050831798 181707494 /nfs/dbraw/zinc/70/74/94/181707494.db2.gz MQZZAFDTEHSJOM-UHFFFAOYSA-N 0 0 248.713 3.034 10 0 BGAERN C[C@H]1C[C@H](OCc2ccc(N)nc2)CC(C)(C)C1 ZINC000050832215 177374447 /nfs/dbraw/zinc/37/44/47/177374447.db2.gz XHOOCONIMZHXBW-AAEUAGOBSA-N 0 0 248.370 3.395 10 0 BGAERN C[C@@H]1C[C@@H](OCc2ccc(N)nc2)CC(C)(C)C1 ZINC000050832216 176382856 /nfs/dbraw/zinc/38/28/56/176382856.db2.gz XHOOCONIMZHXBW-DGCLKSJQSA-N 0 0 248.370 3.395 10 0 BGAERN C[C@H]1C[C@@H](OCc2ccc(N)nc2)CC(C)(C)C1 ZINC000050832217 177338168 /nfs/dbraw/zinc/33/81/68/177338168.db2.gz XHOOCONIMZHXBW-WCQYABFASA-N 0 0 248.370 3.395 10 0 BGAERN Nc1ccc(CSc2cccs2)cn1 ZINC000050833650 181707096 /nfs/dbraw/zinc/70/70/96/181707096.db2.gz QTIGTSSRHOTIST-UHFFFAOYSA-N 0 0 222.338 3.018 10 0 BGAERN CNc1ccc(CSC(C)(C)C)cn1 ZINC000050833696 345492111 /nfs/dbraw/zinc/49/21/11/345492111.db2.gz QWKLRDSWLVFEBX-UHFFFAOYSA-N 0 0 210.346 3.155 10 0 BGAERN CC(C)OCc1nc2sccc2c(Cl)n1 ZINC000050840844 398342403 /nfs/dbraw/zinc/34/24/03/398342403.db2.gz JYFHRFCFTIGANG-UHFFFAOYSA-N 0 0 242.731 3.270 10 0 BGAERN CSCc1nc2sccc2c(Cl)n1 ZINC000050841142 398342376 /nfs/dbraw/zinc/34/23/76/398342376.db2.gz LEVNVSYTJHXXAK-UHFFFAOYSA-N 0 0 230.745 3.208 10 0 BGAERN Cc1ccccc1-c1nc2sccc2c(N)n1 ZINC000050841277 179238093 /nfs/dbraw/zinc/23/80/93/179238093.db2.gz MRTFALDYEHHIQT-UHFFFAOYSA-N 0 0 241.319 3.249 10 0 BGAERN CCNc1nc(C(C)C)nc2sccc21 ZINC000050841543 170176099 /nfs/dbraw/zinc/17/60/99/170176099.db2.gz INGJJGCISPSOFK-UHFFFAOYSA-N 0 0 221.329 3.247 10 0 BGAERN CNc1nc(C2CC2)nc2sc3c(c21)CCC3 ZINC000050841808 173486664 /nfs/dbraw/zinc/48/66/64/173486664.db2.gz XTZWVPZHUSQCST-UHFFFAOYSA-N 0 0 245.351 3.099 10 0 BGAERN CCNc1nc(CC)nc2sc(C)c(C)c21 ZINC000050842012 170176438 /nfs/dbraw/zinc/17/64/38/170176438.db2.gz SKKNZOKBLNDJLF-UHFFFAOYSA-N 0 0 235.356 3.302 10 0 BGAERN CCCOc1cccc2c(NC)ccnc12 ZINC000050843687 169326111 /nfs/dbraw/zinc/32/61/11/169326111.db2.gz PQJCCMREPLURBY-UHFFFAOYSA-N 0 0 216.284 3.065 10 0 BGAERN CCNc1ccnc2c(OCC)cccc12 ZINC000050843797 170175399 /nfs/dbraw/zinc/17/53/99/170175399.db2.gz CZCTXXRUIYABNI-UHFFFAOYSA-N 0 0 216.284 3.065 10 0 BGAERN CCNc1ccnc2c(F)ccc(C)c12 ZINC000050843810 170175714 /nfs/dbraw/zinc/17/57/14/170175714.db2.gz FMKBKIBMXYDFDU-UHFFFAOYSA-N 0 0 204.248 3.114 10 0 BGAERN CCNc1ccnc2c(C)cc(F)cc12 ZINC000050843872 170175758 /nfs/dbraw/zinc/17/57/58/170175758.db2.gz PGRWEQIBIKBLLT-UHFFFAOYSA-N 0 0 204.248 3.114 10 0 BGAERN CNc1ccnc2c(C)c(Cl)ccc12 ZINC000050843878 398342427 /nfs/dbraw/zinc/34/24/27/398342427.db2.gz QSUQHMHPZOFZCZ-UHFFFAOYSA-N 0 0 206.676 3.238 10 0 BGAERN CCCNc1ccnc2c(OC)ccc(C)c12 ZINC000050843886 169295967 /nfs/dbraw/zinc/29/59/67/169295967.db2.gz QXVIJKCATKRFIL-UHFFFAOYSA-N 0 0 230.311 3.374 10 0 BGAERN CCNc1ccnc2c(OC)ccc(Cl)c12 ZINC000050843941 170175654 /nfs/dbraw/zinc/17/56/54/170175654.db2.gz NRKCEBZAXTXJQZ-UHFFFAOYSA-N 0 0 236.702 3.329 10 0 BGAERN CNc1ccnc2c(C)cc(Cl)cc12 ZINC000050844049 343619321 /nfs/dbraw/zinc/61/93/21/343619321.db2.gz JMARTSBQYLYVEG-UHFFFAOYSA-N 0 0 206.676 3.238 10 0 BGAERN CCNc1ccnc2c(F)c(F)c(F)cc12 ZINC000050844073 170175029 /nfs/dbraw/zinc/17/50/29/170175029.db2.gz YUMAUCHYJNQFDT-UHFFFAOYSA-N 0 0 226.201 3.084 10 0 BGAERN CNc1ccnc2c(Cl)cc(F)cc12 ZINC000050844150 173483983 /nfs/dbraw/zinc/48/39/83/173483983.db2.gz RSVRKOVLFXRHPX-UHFFFAOYSA-N 0 0 210.639 3.069 10 0 BGAERN CNc1ccnc2c(F)cc(Cl)cc12 ZINC000050844221 173483763 /nfs/dbraw/zinc/48/37/63/173483763.db2.gz IKIRHPIFCJMPIE-UHFFFAOYSA-N 0 0 210.639 3.069 10 0 BGAERN CCNc1ccnc2c(F)cc(C)cc12 ZINC000050844263 170175418 /nfs/dbraw/zinc/17/54/18/170175418.db2.gz IWEFBNOKDFGKPN-UHFFFAOYSA-N 0 0 204.248 3.114 10 0 BGAERN CNc1ccnc2c(Br)cccc12 ZINC000050844309 384495159 /nfs/dbraw/zinc/49/51/59/384495159.db2.gz WRVPZTXGFKCSFY-UHFFFAOYSA-N 0 0 237.100 3.039 10 0 BGAERN CNc1ccnc2c(F)c(Cl)ccc12 ZINC000050844348 384496211 /nfs/dbraw/zinc/49/62/11/384496211.db2.gz NMUNSIFLPOQYIM-UHFFFAOYSA-N 0 0 210.639 3.069 10 0 BGAERN CCNc1ccnc2c(Cl)ccc(OC)c12 ZINC000050844422 170175529 /nfs/dbraw/zinc/17/55/29/170175529.db2.gz CNXZYPQSDMOHOP-UHFFFAOYSA-N 0 0 236.702 3.329 10 0 BGAERN CCCc1cc(N)nc([C@H]2CCC[C@H](C)C2)n1 ZINC000050845828 169566079 /nfs/dbraw/zinc/56/60/79/169566079.db2.gz RHHLRQUJNSNHIB-QWRGUYRKSA-N 0 0 233.359 3.305 10 0 BGAERN Cc1ccc(-c2nc(N)cc(C(C)C)n2)cc1 ZINC000050846452 178336040 /nfs/dbraw/zinc/33/60/40/178336040.db2.gz YPLZPXNRWKWRBB-UHFFFAOYSA-N 0 0 227.311 3.158 10 0 BGAERN CCNc1nc(-c2cccs2)nc2c1CCC2 ZINC000050847836 170175491 /nfs/dbraw/zinc/17/54/91/170175491.db2.gz FSDORABOIMYLDC-UHFFFAOYSA-N 0 0 245.351 3.126 10 0 BGAERN CCCNc1nc(C2CCCC2)nc2c1CCC2 ZINC000050848017 169296051 /nfs/dbraw/zinc/29/60/51/169296051.db2.gz JIVQXPHRZUDWEY-UHFFFAOYSA-N 0 0 245.370 3.445 10 0 BGAERN CCNc1cc(-c2ccccc2)nc(CC)n1 ZINC000050848314 170171342 /nfs/dbraw/zinc/17/13/42/170171342.db2.gz FIVWBGCWJLGXEH-UHFFFAOYSA-N 0 0 227.311 3.138 10 0 BGAERN CCNc1cc(C)nc(-c2ccccc2C)n1 ZINC000050848718 170172043 /nfs/dbraw/zinc/17/20/43/170172043.db2.gz HZSGWSXCTGYSEA-UHFFFAOYSA-N 0 0 227.311 3.192 10 0 BGAERN CCNc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000050848725 170171765 /nfs/dbraw/zinc/17/17/65/170171765.db2.gz CYBRWOHWCUQICQ-UHFFFAOYSA-N 0 0 227.311 3.192 10 0 BGAERN CCNc1cc(C)nc(C2CCCCC2)n1 ZINC000050848738 170172514 /nfs/dbraw/zinc/17/25/14/170172514.db2.gz QKQMFOKGSQZLMW-UHFFFAOYSA-N 0 0 219.332 3.265 10 0 BGAERN CCNc1cc(C)nc(-c2ccc(CC)cc2)n1 ZINC000050848826 170172192 /nfs/dbraw/zinc/17/21/92/170172192.db2.gz QNBKFGUTQGLGSU-UHFFFAOYSA-N 0 0 241.338 3.446 10 0 BGAERN CCNc1cc(C)nc(-c2cc(F)cc(F)c2)n1 ZINC000050848968 170171961 /nfs/dbraw/zinc/17/19/61/170171961.db2.gz YGZGHHCDOUBACU-UHFFFAOYSA-N 0 0 249.264 3.162 10 0 BGAERN CCCNc1cc(C)nc(C2CCCC2)n1 ZINC000050848976 169293440 /nfs/dbraw/zinc/29/34/40/169293440.db2.gz LXYMXTPDFCXGGO-UHFFFAOYSA-N 0 0 219.332 3.265 10 0 BGAERN CCCNc1cc(C)nc(Cc2ccccc2)n1 ZINC000050848995 169294038 /nfs/dbraw/zinc/29/40/38/169294038.db2.gz SUSDDMDLDCFBAF-UHFFFAOYSA-N 0 0 241.338 3.198 10 0 BGAERN CCCNc1cc(C)nc(-c2cccc(F)c2)n1 ZINC000050849091 169293415 /nfs/dbraw/zinc/29/34/15/169293415.db2.gz WKQHPOVFDZPXJT-UHFFFAOYSA-N 0 0 245.301 3.413 10 0 BGAERN CCCNc1cc(C)nc(-c2ccsc2)n1 ZINC000050849116 169293570 /nfs/dbraw/zinc/29/35/70/169293570.db2.gz FUEJCDZVWFGWTJ-UHFFFAOYSA-N 0 0 233.340 3.335 10 0 BGAERN CCCNc1nc(C(C)(C)C)nc(C)c1CC ZINC000050849747 169295778 /nfs/dbraw/zinc/29/57/78/169295778.db2.gz ZJECSYXPPLRXDY-UHFFFAOYSA-N 0 0 235.375 3.467 10 0 BGAERN CCNc1cc(CC)nc(C2CCCC2)n1 ZINC000050851092 170171879 /nfs/dbraw/zinc/17/18/79/170171879.db2.gz KJAMLGQIQUAYPG-UHFFFAOYSA-N 0 0 219.332 3.128 10 0 BGAERN CCNc1cc(CC)nc(Cc2ccccc2)n1 ZINC000050851106 170171924 /nfs/dbraw/zinc/17/19/24/170171924.db2.gz KXSNADXEXLKTCO-UHFFFAOYSA-N 0 0 241.338 3.062 10 0 BGAERN CCNc1cc(CC)nc(-c2ccc(C)cc2)n1 ZINC000050851119 170172505 /nfs/dbraw/zinc/17/25/05/170172505.db2.gz GKXCMVGSWVDBTR-UHFFFAOYSA-N 0 0 241.338 3.446 10 0 BGAERN CCNc1cc(CC)nc(-c2ccc(F)cc2)n1 ZINC000050851148 170172098 /nfs/dbraw/zinc/17/20/98/170172098.db2.gz PXPPYAZXRBUAMH-UHFFFAOYSA-N 0 0 245.301 3.277 10 0 BGAERN CCNc1ccnc(Cc2ccc(Cl)cc2)n1 ZINC000050852852 170175326 /nfs/dbraw/zinc/17/53/26/170175326.db2.gz RZGUXIKRUFUXQY-UHFFFAOYSA-N 0 0 247.729 3.153 10 0 BGAERN CCNc1ccnc(-c2ccccc2Cl)n1 ZINC000050863815 170175376 /nfs/dbraw/zinc/17/53/76/170175376.db2.gz DACVHXHXDXIBHP-UHFFFAOYSA-N 0 0 233.702 3.229 10 0 BGAERN CCNc1ccnc(Cc2ccccc2Cl)n1 ZINC000050863843 170175511 /nfs/dbraw/zinc/17/55/11/170175511.db2.gz JXBCDPQILAJPNQ-UHFFFAOYSA-N 0 0 247.729 3.153 10 0 BGAERN CCNc1ccnc([C@@H]2CCC[C@H](C)C2)n1 ZINC000050863845 170175460 /nfs/dbraw/zinc/17/54/60/170175460.db2.gz AITZQWRNJIEUJA-WDEREUQCSA-N 0 0 219.332 3.202 10 0 BGAERN CCNc1ccnc([C@H]2CCC[C@H](C)C2)n1 ZINC000050863846 170175532 /nfs/dbraw/zinc/17/55/32/170175532.db2.gz AITZQWRNJIEUJA-QWRGUYRKSA-N 0 0 219.332 3.202 10 0 BGAERN CCNc1ccnc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000050863848 170175659 /nfs/dbraw/zinc/17/56/59/170175659.db2.gz AITZQWRNJIEUJA-GHMZBOCLSA-N 0 0 219.332 3.202 10 0 BGAERN CCNc1ccnc([C@H]2CCC[C@@H](C)C2)n1 ZINC000050863850 170175590 /nfs/dbraw/zinc/17/55/90/170175590.db2.gz AITZQWRNJIEUJA-MNOVXSKESA-N 0 0 219.332 3.202 10 0 BGAERN CCNc1ccnc(C2CCC(C)CC2)n1 ZINC000050863874 170175696 /nfs/dbraw/zinc/17/56/96/170175696.db2.gz OAIBNQASBQAIRJ-UHFFFAOYSA-N 0 0 219.332 3.202 10 0 BGAERN CCCNc1ccnc(-c2ccccc2C)n1 ZINC000050863894 169296057 /nfs/dbraw/zinc/29/60/57/169296057.db2.gz ILRIALMVOKFNKU-UHFFFAOYSA-N 0 0 227.311 3.274 10 0 BGAERN CCCNc1ccnc(-c2ccc(C)cc2)n1 ZINC000050863898 169296067 /nfs/dbraw/zinc/29/60/67/169296067.db2.gz SEARCUXNWIUWOI-UHFFFAOYSA-N 0 0 227.311 3.274 10 0 BGAERN CCCNc1ccnc(C2CCCCC2)n1 ZINC000050863906 169295446 /nfs/dbraw/zinc/29/54/46/169295446.db2.gz APXDSVLXUOYSQU-UHFFFAOYSA-N 0 0 219.332 3.346 10 0 BGAERN CCCNc1ccnc(CCc2ccccc2)n1 ZINC000050863995 169295704 /nfs/dbraw/zinc/29/57/04/169295704.db2.gz WMYGHNFVKRQFTK-UHFFFAOYSA-N 0 0 241.338 3.084 10 0 BGAERN CCCNc1ccnc(-c2cc(F)cc(F)c2)n1 ZINC000050864028 169296029 /nfs/dbraw/zinc/29/60/29/169296029.db2.gz MRLQDDLCLIAQGA-UHFFFAOYSA-N 0 0 249.264 3.244 10 0 BGAERN CCNc1nc(-c2ccccc2)nc(C)c1C ZINC000050864206 170175396 /nfs/dbraw/zinc/17/53/96/170175396.db2.gz HUQIWYAJAVZIDT-UHFFFAOYSA-N 0 0 227.311 3.192 10 0 BGAERN CCNc1nc(-c2ccc(F)cc2)nc(C)c1C ZINC000050864218 170175646 /nfs/dbraw/zinc/17/56/46/170175646.db2.gz KVVRCZIRALGOKC-UHFFFAOYSA-N 0 0 245.301 3.331 10 0 BGAERN CCNc1nc(-c2cccc(F)c2)nc(C)c1C ZINC000050864249 170175032 /nfs/dbraw/zinc/17/50/32/170175032.db2.gz KPYWMKSCVFOUAZ-UHFFFAOYSA-N 0 0 245.301 3.331 10 0 BGAERN CCNc1nc(-c2ccsc2)nc(C)c1C ZINC000050864258 170175059 /nfs/dbraw/zinc/17/50/59/170175059.db2.gz XYOROTWEXDLUKN-UHFFFAOYSA-N 0 0 233.340 3.254 10 0 BGAERN CCCNc1nc(CC(F)(F)F)nc(C)c1C ZINC000050864403 169296197 /nfs/dbraw/zinc/29/61/97/169296197.db2.gz DZXRRTFUYRLCCL-UHFFFAOYSA-N 0 0 247.264 3.020 10 0 BGAERN CCNc1cc(C)nc(-c2ccc(C)s2)n1 ZINC000050864580 170172168 /nfs/dbraw/zinc/17/21/68/170172168.db2.gz FGVGGJSFPXGFRD-UHFFFAOYSA-N 0 0 233.340 3.254 10 0 BGAERN CCNc1cc(C)nc(-c2sccc2C)n1 ZINC000050864610 170171839 /nfs/dbraw/zinc/17/18/39/170171839.db2.gz HRAHAXQXRPIABW-UHFFFAOYSA-N 0 0 233.340 3.254 10 0 BGAERN CCCNc1cc(C)nc(-c2ccc(C)o2)n1 ZINC000050864709 169293970 /nfs/dbraw/zinc/29/39/70/169293970.db2.gz QOXFGECDNADWQH-UHFFFAOYSA-N 0 0 231.299 3.175 10 0 BGAERN CCNc1nc(-c2ccc(C)o2)nc(C)c1CC ZINC000050864846 170175431 /nfs/dbraw/zinc/17/54/31/170175431.db2.gz NOOLIOCBMKCTFY-UHFFFAOYSA-N 0 0 245.326 3.348 10 0 BGAERN CCNc1nc(-c2ccco2)nc(C)c1CC ZINC000050864854 170175393 /nfs/dbraw/zinc/17/53/93/170175393.db2.gz GGNSOPGCULVQBI-UHFFFAOYSA-N 0 0 231.299 3.039 10 0 BGAERN CCNc1ccnc(-c2ccc(Cl)s2)n1 ZINC000050865573 188329266 /nfs/dbraw/zinc/32/92/66/188329266.db2.gz WMUVCABIDWTTAL-UHFFFAOYSA-N 0 0 239.731 3.290 10 0 BGAERN CCCNc1nc(-c2ccc(C)o2)nc(C)c1C ZINC000050866069 169295555 /nfs/dbraw/zinc/29/55/55/169295555.db2.gz GNYRDSOZTPHCCT-UHFFFAOYSA-N 0 0 245.326 3.484 10 0 BGAERN CCCNc1nc(-c2ccco2)nc(C)c1C ZINC000050866079 169296206 /nfs/dbraw/zinc/29/62/06/169296206.db2.gz AGXHVLGDIPKXJD-UHFFFAOYSA-N 0 0 231.299 3.175 10 0 BGAERN Cc1ccc(-c2nc(N)cc(C(C)C)n2)c(C)c1 ZINC000050866984 178336027 /nfs/dbraw/zinc/33/60/27/178336027.db2.gz HPBUPTHSJYXHRA-UHFFFAOYSA-N 0 0 241.338 3.466 10 0 BGAERN Cc1ccc(-c2nc(N)cc(C(C)C)n2)cc1C ZINC000050867059 178336126 /nfs/dbraw/zinc/33/61/26/178336126.db2.gz YINWAKISTVZKQO-UHFFFAOYSA-N 0 0 241.338 3.466 10 0 BGAERN Nc1ccnc(-c2ccc(Cl)cc2Cl)n1 ZINC000050867252 181761420 /nfs/dbraw/zinc/76/14/20/181761420.db2.gz CPSVVLPLEGRRTJ-UHFFFAOYSA-N 0 0 240.093 3.033 10 0 BGAERN CC(C)(C)c1ccc(-c2nccc(N)n2)cc1 ZINC000050867272 187953061 /nfs/dbraw/zinc/95/30/61/187953061.db2.gz CATLCOUIWJEDEU-UHFFFAOYSA-N 0 0 227.311 3.023 10 0 BGAERN Cc1nc(-c2ccc([C@H]3C[C@@H]3C)o2)nc(N)c1C ZINC000050867473 179865194 /nfs/dbraw/zinc/86/51/94/179865194.db2.gz XPJSHUUOYSZSBI-XVKPBYJWSA-N 0 0 243.310 3.059 10 0 BGAERN CCCNc1nc(-c2ccco2)nc2c1CCC2 ZINC000050867721 169295881 /nfs/dbraw/zinc/29/58/81/169295881.db2.gz ROLLFTKUGOBOIC-UHFFFAOYSA-N 0 0 243.310 3.047 10 0 BGAERN CNc1ccc(-c2ccc3ccccc3c2)nn1 ZINC000050867931 173475614 /nfs/dbraw/zinc/47/56/14/173475614.db2.gz QIELSAAOKYKYAT-UHFFFAOYSA-N 0 0 235.290 3.339 10 0 BGAERN CNc1ccc(-c2ccc(C(C)(C)C)cc2)nn1 ZINC000050867971 173474828 /nfs/dbraw/zinc/47/48/28/173474828.db2.gz PROAZBLBNKUBEM-UHFFFAOYSA-N 0 0 241.338 3.483 10 0 BGAERN CCNc1ccc(-c2ccc(C)cc2C)nn1 ZINC000050868004 170173012 /nfs/dbraw/zinc/17/30/12/170173012.db2.gz LFASWQGGSWQHFZ-UHFFFAOYSA-N 0 0 227.311 3.192 10 0 BGAERN CCNc1ccc(-c2cc3ccccc3o2)nn1 ZINC000050868124 170172829 /nfs/dbraw/zinc/17/28/29/170172829.db2.gz MHKUGQMLWGOVBQ-UHFFFAOYSA-N 0 0 239.278 3.322 10 0 BGAERN CCCNc1ccc(-c2cc(C)oc2C)nn1 ZINC000050868162 169294382 /nfs/dbraw/zinc/29/43/82/169294382.db2.gz YYNVKLTVVOCTBN-UHFFFAOYSA-N 0 0 231.299 3.175 10 0 BGAERN CCCNc1ccc(-c2ccc(F)cc2F)nn1 ZINC000050868171 169294203 /nfs/dbraw/zinc/29/42/03/169294203.db2.gz NUYJPUSKQFDARV-UHFFFAOYSA-N 0 0 249.264 3.244 10 0 BGAERN CCCNc1ccc(-c2ccccc2F)nn1 ZINC000050868242 169294394 /nfs/dbraw/zinc/29/43/94/169294394.db2.gz IAJLTWBXWXWTIZ-UHFFFAOYSA-N 0 0 231.274 3.105 10 0 BGAERN CCNc1c2c(nc3c(OC)cccc13)CCC2 ZINC000050868650 170171429 /nfs/dbraw/zinc/17/14/29/170171429.db2.gz MUDKFFFRHQVMIG-UHFFFAOYSA-N 0 0 242.322 3.164 10 0 BGAERN CCCOc1cccc2c(NC)cc(C)nc12 ZINC000050868914 169326216 /nfs/dbraw/zinc/32/62/16/169326216.db2.gz AUWLHJFDZGBVJD-UHFFFAOYSA-N 0 0 230.311 3.374 10 0 BGAERN Cc1cc(C)c2nc(C(F)(F)F)cc(N)c2c1 ZINC000050869041 177887518 /nfs/dbraw/zinc/88/75/18/177887518.db2.gz PHQPXEZAHXHKFR-UHFFFAOYSA-N 0 0 240.228 3.453 10 0 BGAERN Cc1cc(F)cc2c(N)cc(C(F)(F)F)nc12 ZINC000050869398 178079720 /nfs/dbraw/zinc/07/97/20/178079720.db2.gz RSQVASSNOHNHFU-UHFFFAOYSA-N 0 0 244.191 3.283 10 0 BGAERN COc1ccc(Cl)c2c(N)c(C)c(C)nc12 ZINC000050869652 175118363 /nfs/dbraw/zinc/11/83/63/175118363.db2.gz PTOHIUUGLVQIHR-UHFFFAOYSA-N 0 0 236.702 3.096 10 0 BGAERN CCNc1c2c(nc3c(F)cccc31)CCC2 ZINC000050869684 170171139 /nfs/dbraw/zinc/17/11/39/170171139.db2.gz MJMVJDCDFPOCTN-UHFFFAOYSA-N 0 0 230.286 3.294 10 0 BGAERN CCNc1cc(C)nc2c(F)ccc(F)c12 ZINC000050869822 170172204 /nfs/dbraw/zinc/17/22/04/170172204.db2.gz HEKUUWHSMMUXDA-UHFFFAOYSA-N 0 0 222.238 3.253 10 0 BGAERN Cc1cc(F)c2nc3c(c(N)c2c1)CCCC3 ZINC000050870331 178075876 /nfs/dbraw/zinc/07/58/76/178075876.db2.gz PMOXCGFIEHXSQK-UHFFFAOYSA-N 0 0 230.286 3.143 10 0 BGAERN Cc1ccc(C)c2c(N)cc(C(F)(F)F)nc12 ZINC000050870389 178505255 /nfs/dbraw/zinc/50/52/55/178505255.db2.gz NBAYLFYLKIVUFU-UHFFFAOYSA-N 0 0 240.228 3.453 10 0 BGAERN CCc1cc(N)c2cccc(Cl)c2n1 ZINC000050870580 384514869 /nfs/dbraw/zinc/51/48/69/384514869.db2.gz VQNBCJFMLDMLQM-UHFFFAOYSA-N 0 0 206.676 3.033 10 0 BGAERN CNc1cc(C)nc2c(Cl)cccc12 ZINC000050870588 384515494 /nfs/dbraw/zinc/51/54/94/384515494.db2.gz WLSNCPCIWMBJRA-UHFFFAOYSA-N 0 0 206.676 3.238 10 0 BGAERN CCNc1cc(C)nc2c(F)cc(F)cc12 ZINC000050870724 170171914 /nfs/dbraw/zinc/17/19/14/170171914.db2.gz OWPWRDTVSKTOJZ-UHFFFAOYSA-N 0 0 222.238 3.253 10 0 BGAERN CCNc1c(C)c(C)nc2c(OC)cc(F)cc21 ZINC000050871039 170170204 /nfs/dbraw/zinc/17/02/04/170170204.db2.gz VAHBIJUCSSAGLX-UHFFFAOYSA-N 0 0 248.301 3.431 10 0 BGAERN Oc1cccc(OCc2ccc(F)cc2F)c1 ZINC000050885136 183292299 /nfs/dbraw/zinc/29/22/99/183292299.db2.gz JQEUFKJJETULCV-UHFFFAOYSA-N 0 0 236.217 3.249 10 0 BGAERN CCCC(=O)CCc1ccc(F)cc1F ZINC000050885153 187295871 /nfs/dbraw/zinc/29/58/71/187295871.db2.gz TUYVMKAKORMTGC-UHFFFAOYSA-N 0 0 212.239 3.267 10 0 BGAERN C[C@@H]1CCC[C@](O)(Cc2ccc(F)cc2F)C1 ZINC000050885469 176152368 /nfs/dbraw/zinc/15/23/68/176152368.db2.gz UVSQMECNAGXRCC-QMTHXVAHSA-N 0 0 240.293 3.449 10 0 BGAERN C[C@H]1CCC[C@](O)(Cc2ccc(F)cc2F)C1 ZINC000050885470 177143609 /nfs/dbraw/zinc/14/36/09/177143609.db2.gz UVSQMECNAGXRCC-IINYFYTJSA-N 0 0 240.293 3.449 10 0 BGAERN C[C@@H]1CCC[C@@](O)(Cc2ccc(F)cc2F)C1 ZINC000050885471 176134039 /nfs/dbraw/zinc/13/40/39/176134039.db2.gz UVSQMECNAGXRCC-YGRLFVJLSA-N 0 0 240.293 3.449 10 0 BGAERN C[C@H]1CCC[C@@](O)(Cc2ccc(F)cc2F)C1 ZINC000050885472 177127536 /nfs/dbraw/zinc/12/75/36/177127536.db2.gz UVSQMECNAGXRCC-HZMBPMFUSA-N 0 0 240.293 3.449 10 0 BGAERN O=C(Cc1ccccc1)Cc1ccc(F)cc1F ZINC000050885650 182042744 /nfs/dbraw/zinc/04/27/44/182042744.db2.gz KKNDMJWBIRTBHQ-UHFFFAOYSA-N 0 0 246.256 3.319 10 0 BGAERN CC(C)(C)C(=O)Cc1ccc(F)cc1F ZINC000050885676 345586031 /nfs/dbraw/zinc/58/60/31/345586031.db2.gz FVFGHBZAGDPCCI-UHFFFAOYSA-N 0 0 212.239 3.123 10 0 BGAERN O[C@H]1CCCC[C@H]1Cc1ccc(F)cc1F ZINC000050886457 183233174 /nfs/dbraw/zinc/23/31/74/183233174.db2.gz KDWWQJSJEFNZQK-GWCFXTLKSA-N 0 0 226.266 3.058 10 0 BGAERN O[C@H]1CCCC[C@@H]1Cc1ccc(F)cc1F ZINC000050886458 183231378 /nfs/dbraw/zinc/23/13/78/183231378.db2.gz KDWWQJSJEFNZQK-MFKMUULPSA-N 0 0 226.266 3.058 10 0 BGAERN O[C@@H]1CCCC[C@H]1Cc1ccc(F)cc1F ZINC000050886459 183190269 /nfs/dbraw/zinc/19/02/69/183190269.db2.gz KDWWQJSJEFNZQK-GXFFZTMASA-N 0 0 226.266 3.058 10 0 BGAERN O[C@@H]1CCCC[C@@H]1Cc1ccc(F)cc1F ZINC000050886460 183188051 /nfs/dbraw/zinc/18/80/51/183188051.db2.gz KDWWQJSJEFNZQK-ZWNOBZJWSA-N 0 0 226.266 3.058 10 0 BGAERN CCCC[C@@H](C)NC(=O)c1ccccc1NC ZINC000050890266 168947587 /nfs/dbraw/zinc/94/75/87/168947587.db2.gz YHBRGUIEBQCBAA-LLVKDONJSA-N 0 0 234.343 3.037 10 0 BGAERN CCCC[C@H](C)n1c(N)cc2ccccc2c1=O ZINC000050890603 168992783 /nfs/dbraw/zinc/99/27/83/168992783.db2.gz RAEWVRPUHUGYAU-NSHDSACASA-N 0 0 244.338 3.335 10 0 BGAERN O=C(Cc1cccs1)c1ccc2c(c1)CCO2 ZINC000050892316 343619759 /nfs/dbraw/zinc/61/97/59/343619759.db2.gz SZIFJJNJFSKCPL-UHFFFAOYSA-N 0 0 244.315 3.108 10 0 BGAERN CCCC1CCN(c2ccc(F)cc2N)CC1 ZINC000050893707 132359471 /nfs/dbraw/zinc/35/94/71/132359471.db2.gz MLIDLFZJBJAAHA-UHFFFAOYSA-N 0 0 236.334 3.424 10 0 BGAERN CCCC1CCN(c2cccc(F)c2N)CC1 ZINC000050893738 132359535 /nfs/dbraw/zinc/35/95/35/132359535.db2.gz XXSYJUYFMSLHRN-UHFFFAOYSA-N 0 0 236.334 3.424 10 0 BGAERN CCCC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000050906063 168607646 /nfs/dbraw/zinc/60/76/46/168607646.db2.gz SEKJZDZOSBRDEV-UHFFFAOYSA-N 0 0 249.329 3.478 10 0 BGAERN Nc1cc(F)c(N2Cc3ccccc3C2)c(F)c1 ZINC000050911046 385087816 /nfs/dbraw/zinc/08/78/16/385087816.db2.gz DCMNILGRVZVBDW-UHFFFAOYSA-N 0 0 246.260 3.067 10 0 BGAERN O=Cc1cc(F)ccc1N1Cc2ccccc2C1 ZINC000050911489 182863505 /nfs/dbraw/zinc/86/35/05/182863505.db2.gz CJSPQHHBDZJIQQ-UHFFFAOYSA-N 0 0 241.265 3.158 10 0 BGAERN Cc1cc(N2Cc3ccccc3C2)ccc1CO ZINC000050911581 178122201 /nfs/dbraw/zinc/12/22/01/178122201.db2.gz XNECRBHQWMPAEX-UHFFFAOYSA-N 0 0 239.318 3.008 10 0 BGAERN CCc1ccc(C(=O)[C@@H]2CCCCO2)s1 ZINC000050960144 345764630 /nfs/dbraw/zinc/76/46/30/345764630.db2.gz SBEMNJMIZQANGD-JTQLQIEISA-N 0 0 224.325 3.062 10 0 BGAERN CCc1ccc(C(=O)[C@H]2CCCCO2)s1 ZINC000050960146 345764643 /nfs/dbraw/zinc/76/46/43/345764643.db2.gz SBEMNJMIZQANGD-SNVBAGLBSA-N 0 0 224.325 3.062 10 0 BGAERN Cc1cc(C(=O)[C@@H]2CCCCO2)c(C)s1 ZINC000050960199 345764748 /nfs/dbraw/zinc/76/47/48/345764748.db2.gz BNHSQIYRLNGNQC-NSHDSACASA-N 0 0 224.325 3.117 10 0 BGAERN Cc1cc(C(=O)[C@H]2CCCCO2)c(C)s1 ZINC000050960200 345765141 /nfs/dbraw/zinc/76/51/41/345765141.db2.gz BNHSQIYRLNGNQC-LLVKDONJSA-N 0 0 224.325 3.117 10 0 BGAERN Cc1cccc2[nH]cc(C(=O)[C@@H]3CCCCO3)c21 ZINC000050960321 179208316 /nfs/dbraw/zinc/20/83/16/179208316.db2.gz HDAPBDAYSQWFMG-ZDUSSCGKSA-N 0 0 243.306 3.228 10 0 BGAERN Cc1cccc2[nH]cc(C(=O)[C@H]3CCCCO3)c21 ZINC000050960323 179208521 /nfs/dbraw/zinc/20/85/21/179208521.db2.gz HDAPBDAYSQWFMG-CYBMUJFWSA-N 0 0 243.306 3.228 10 0 BGAERN O[C@@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050971864 345767297 /nfs/dbraw/zinc/76/72/97/345767297.db2.gz ABQRIUIHYATLKM-OIBJUYFYSA-N 0 0 232.732 3.004 10 0 BGAERN O[C@H](c1ccc(Cl)s1)[C@@H]1CCCCO1 ZINC000050971866 345767622 /nfs/dbraw/zinc/76/76/22/345767622.db2.gz ABQRIUIHYATLKM-XVKPBYJWSA-N 0 0 232.732 3.004 10 0 BGAERN O[C@@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050971868 345767265 /nfs/dbraw/zinc/76/72/65/345767265.db2.gz ABQRIUIHYATLKM-GMSGAONNSA-N 0 0 232.732 3.004 10 0 BGAERN O[C@H](c1ccc(Cl)s1)[C@H]1CCCCO1 ZINC000050971870 345767303 /nfs/dbraw/zinc/76/73/03/345767303.db2.gz ABQRIUIHYATLKM-XCBNKYQSSA-N 0 0 232.732 3.004 10 0 BGAERN Nc1ccccc1NCc1ccc(F)cc1F ZINC000051017042 181756361 /nfs/dbraw/zinc/75/63/61/181756361.db2.gz ZFTFJMMVPGAHNH-UHFFFAOYSA-N 0 0 234.249 3.159 10 0 BGAERN OCCCCCOc1ccc(C(F)(F)F)cc1 ZINC000051020319 183049610 /nfs/dbraw/zinc/04/96/10/183049610.db2.gz MVSHPQPMZCCBIU-UHFFFAOYSA-N 0 0 248.244 3.247 10 0 BGAERN OCCCCCOc1ccccc1C(F)(F)F ZINC000051020454 183049635 /nfs/dbraw/zinc/04/96/35/183049635.db2.gz UGSVSQIZFUGSQJ-UHFFFAOYSA-N 0 0 248.244 3.247 10 0 BGAERN OCCCCCOc1ccc(F)cc1Cl ZINC000051020491 183049585 /nfs/dbraw/zinc/04/95/85/183049585.db2.gz NRTKBMKBVSTMNJ-UHFFFAOYSA-N 0 0 232.682 3.021 10 0 BGAERN OCCCNc1ccc(-c2ccccc2)cc1 ZINC000051040429 183059904 /nfs/dbraw/zinc/05/99/04/183059904.db2.gz YRTYPEWGFTWDHU-UHFFFAOYSA-N 0 0 227.307 3.148 10 0 BGAERN COc1ccc(CCNc2ncccc2C)cc1 ZINC000051040859 175092394 /nfs/dbraw/zinc/09/23/94/175092394.db2.gz ZSJTUXRWSQDPHI-UHFFFAOYSA-N 0 0 242.322 3.053 10 0 BGAERN Cc1cccnc1N[C@@H](C)c1ccco1 ZINC000051040929 179394815 /nfs/dbraw/zinc/39/48/15/179394815.db2.gz KWNICFSMMMMRKG-JTQLQIEISA-N 0 0 202.257 3.156 10 0 BGAERN Cc1cccnc1N[C@H](C)c1ccco1 ZINC000051040930 179395390 /nfs/dbraw/zinc/39/53/90/179395390.db2.gz KWNICFSMMMMRKG-SNVBAGLBSA-N 0 0 202.257 3.156 10 0 BGAERN Cc1cccnc1N[C@@H](C)c1cccc(N)c1 ZINC000051041322 179395144 /nfs/dbraw/zinc/39/51/44/179395144.db2.gz AQRHPLOVHXFJPH-NSHDSACASA-N 0 0 227.311 3.145 10 0 BGAERN Cc1cccnc1N[C@H](C)c1cccc(N)c1 ZINC000051041323 179396461 /nfs/dbraw/zinc/39/64/61/179396461.db2.gz AQRHPLOVHXFJPH-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN OCc1cccc(Oc2ccc(Cl)cc2)n1 ZINC000051042711 183168202 /nfs/dbraw/zinc/16/82/02/183168202.db2.gz KUMHVWGPWIGTDA-UHFFFAOYSA-N 0 0 235.670 3.020 10 0 BGAERN CCc1c(N)onc1-c1ccc(Cl)s1 ZINC000051172407 346974213 /nfs/dbraw/zinc/97/42/13/346974213.db2.gz WVXXLUAQBNSXOJ-UHFFFAOYSA-N 0 0 228.704 3.201 10 0 BGAERN O=C(Cc1ccccn1)c1ccc(Cl)s1 ZINC000051172433 346974063 /nfs/dbraw/zinc/97/40/63/346974063.db2.gz XWVJWSQPDKLCIW-UHFFFAOYSA-N 0 0 237.711 3.222 10 0 BGAERN CC(C)c1nnc(-c2ccc(Cl)s2)[nH]1 ZINC000051172474 346974133 /nfs/dbraw/zinc/97/41/33/346974133.db2.gz XOOTYBJTGVWDDN-UHFFFAOYSA-N 0 0 227.720 3.310 10 0 BGAERN CCCc1nnc(-c2ccc(Cl)s2)[nH]1 ZINC000051172476 346974422 /nfs/dbraw/zinc/97/44/22/346974422.db2.gz RZYDJRKCTRGTDN-UHFFFAOYSA-N 0 0 227.720 3.139 10 0 BGAERN Clc1ccc(-c2nnc(C3CC3)[nH]2)s1 ZINC000051172478 346973948 /nfs/dbraw/zinc/97/39/48/346973948.db2.gz CSKMJHGCDQDTON-UHFFFAOYSA-N 0 0 225.704 3.064 10 0 BGAERN CC[C@H](C)[N@H+](CC)CC1(C(=O)[O-])CCCCC1 ZINC000051287642 171311677 /nfs/dbraw/zinc/31/16/77/171311677.db2.gz ARHASORPAHYVKD-LBPRGKRZSA-N 0 0 241.375 3.142 10 0 BGAERN CCC(CC)(C[N@H+](C)[C@@H](C)C(C)(C)C)C(=O)[O-] ZINC000051288939 168321709 /nfs/dbraw/zinc/32/17/09/168321709.db2.gz JHLQCNKVRWKOOP-NSHDSACASA-N 0 0 243.391 3.244 10 0 BGAERN CCC(CC)(C[N@H+](C)[C@H](C)C(C)(C)C)C(=O)[O-] ZINC000051288941 168321563 /nfs/dbraw/zinc/32/15/63/168321563.db2.gz JHLQCNKVRWKOOP-LLVKDONJSA-N 0 0 243.391 3.244 10 0 BGAERN CCC(CC)C[N@H+](CC)C[C@@](C)(CC)C(=O)[O-] ZINC000051289660 168348537 /nfs/dbraw/zinc/34/85/37/168348537.db2.gz INWFPNAWDMXBAM-CQSZACIVSA-N 0 0 243.391 3.245 10 0 BGAERN CCC(CC)C[N@H+](CC)C[C@](C)(CC)C(=O)[O-] ZINC000051289662 168348692 /nfs/dbraw/zinc/34/86/92/168348692.db2.gz INWFPNAWDMXBAM-AWEZNQCLSA-N 0 0 243.391 3.245 10 0 BGAERN CCC(CC)(CO)CN1CCCc2ccccc21 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/nfs/dbraw/zinc/04/38/80/179043880.db2.gz YQQLQBFYNKZRTO-UHFFFAOYSA-N 0 0 235.327 3.057 10 0 BGAERN CCn1cc(CNc2c(C)cccc2C)cn1 ZINC000051753964 172175824 /nfs/dbraw/zinc/17/58/24/172175824.db2.gz BBIZHLDLECDTTO-UHFFFAOYSA-N 0 0 229.327 3.132 10 0 BGAERN Oc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000051754034 183292487 /nfs/dbraw/zinc/29/24/87/183292487.db2.gz IPQSPLBAJUVGJU-UHFFFAOYSA-N 0 0 238.290 3.486 10 0 BGAERN Cc1n[nH]c(C)c1NCc1c[nH]c2ccccc12 ZINC000051754059 179829191 /nfs/dbraw/zinc/82/91/91/179829191.db2.gz WEIORMQXHSMLNI-UHFFFAOYSA-N 0 0 240.310 3.120 10 0 BGAERN Oc1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000051754203 183275557 /nfs/dbraw/zinc/27/55/57/183275557.db2.gz POIZHZOQLMKRJO-UHFFFAOYSA-N 0 0 238.290 3.486 10 0 BGAERN C[C@@H]1C[C@@H]1C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051754498 187271515 /nfs/dbraw/zinc/27/15/15/187271515.db2.gz FOZLNVKZSUQTGS-SKDRFNHKSA-N 0 0 230.307 3.239 10 0 BGAERN C[C@H]1C[C@H]1C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051754504 177377662 /nfs/dbraw/zinc/37/76/62/177377662.db2.gz FOZLNVKZSUQTGS-JOYOIKCWSA-N 0 0 230.307 3.239 10 0 BGAERN CC1(C)Cc2cc(-c3cnc(N)s3)ccc2O1 ZINC000051755522 188299475 /nfs/dbraw/zinc/29/94/75/188299475.db2.gz RUJAHTLHETUYIH-UHFFFAOYSA-N 0 0 246.335 3.106 10 0 BGAERN CC[C@H](C)Oc1cccc(NCCCOC)c1 ZINC000051780861 171356552 /nfs/dbraw/zinc/35/65/52/171356552.db2.gz YSLMMIQAQUWMNS-LBPRGKRZSA-N 0 0 237.343 3.312 10 0 BGAERN CCCOc1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000051785741 169320406 /nfs/dbraw/zinc/32/04/06/169320406.db2.gz SGXXBGWWMVTKSD-CABCVRRESA-N 0 0 249.354 3.191 10 0 BGAERN CCCOc1ccc(N[C@H]2CCCC[C@@H]2O)cc1 ZINC000051785742 169319905 /nfs/dbraw/zinc/31/99/05/169319905.db2.gz SGXXBGWWMVTKSD-GJZGRUSLSA-N 0 0 249.354 3.191 10 0 BGAERN CCCOc1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000051785744 169319846 /nfs/dbraw/zinc/31/98/46/169319846.db2.gz SGXXBGWWMVTKSD-HUUCEWRRSA-N 0 0 249.354 3.191 10 0 BGAERN CCCOc1ccc(N[C@H]2CCCC[C@H]2O)cc1 ZINC000051785746 169320090 /nfs/dbraw/zinc/32/00/90/169320090.db2.gz SGXXBGWWMVTKSD-LSDHHAIUSA-N 0 0 249.354 3.191 10 0 BGAERN Cc1ccc(NCc2ccc[nH]2)c(C)c1 ZINC000051787841 178764390 /nfs/dbraw/zinc/76/43/90/178764390.db2.gz NUPPRWBFTFMLKI-UHFFFAOYSA-N 0 0 200.285 3.244 10 0 BGAERN COc1ccc(NCc2ccc[nH]2)cc1Cl ZINC000051787873 175152346 /nfs/dbraw/zinc/15/23/46/175152346.db2.gz NTHXIHYFTSRVRJ-UHFFFAOYSA-N 0 0 236.702 3.289 10 0 BGAERN c1c[nH]c(CNc2cccc3cccnc32)c1 ZINC000051787875 183326863 /nfs/dbraw/zinc/32/68/63/183326863.db2.gz NOXKKZHRDOLQHR-UHFFFAOYSA-N 0 0 223.279 3.175 10 0 BGAERN c1c[nH]c(CNc2cccc3ncccc32)c1 ZINC000051787907 183328317 /nfs/dbraw/zinc/32/83/17/183328317.db2.gz NPFMPUHXIDWUMC-UHFFFAOYSA-N 0 0 223.279 3.175 10 0 BGAERN COc1ccc(Cl)cc1NCc1ccc[nH]1 ZINC000051787952 187436376 /nfs/dbraw/zinc/43/63/76/187436376.db2.gz SGCGZULNSVYQPH-UHFFFAOYSA-N 0 0 236.702 3.289 10 0 BGAERN Cc1ccc(NCc2ccc[nH]2)cc1C ZINC000051787968 178763810 /nfs/dbraw/zinc/76/38/10/178763810.db2.gz JKLRVNQWTMRBMW-UHFFFAOYSA-N 0 0 200.285 3.244 10 0 BGAERN Clc1cccc(NCc2ccc[nH]2)c1 ZINC000051787970 384686831 /nfs/dbraw/zinc/68/68/31/384686831.db2.gz DOYZPKMGBKYIAS-UHFFFAOYSA-N 0 0 206.676 3.280 10 0 BGAERN Clc1ccc(NCc2ccc[nH]2)cc1 ZINC000051787973 385920233 /nfs/dbraw/zinc/92/02/33/385920233.db2.gz DKFYRLCIKVXARD-UHFFFAOYSA-N 0 0 206.676 3.280 10 0 BGAERN Clc1ccccc1NCc1ccc[nH]1 ZINC000051787986 385920300 /nfs/dbraw/zinc/92/03/00/385920300.db2.gz ZBUHMHOWORBRTJ-UHFFFAOYSA-N 0 0 206.676 3.280 10 0 BGAERN CCc1ccccc1NCc1ccc[nH]1 ZINC000051788003 171888412 /nfs/dbraw/zinc/88/84/12/171888412.db2.gz VEFVBASDCCDXGD-UHFFFAOYSA-N 0 0 200.285 3.189 10 0 BGAERN Cc1cc(F)ccc1NCc1ccc[nH]1 ZINC000051788005 178089797 /nfs/dbraw/zinc/08/97/97/178089797.db2.gz FXFMNZXSSCIILC-UHFFFAOYSA-N 0 0 204.248 3.074 10 0 BGAERN CCc1cccc(NCc2ccc[nH]2)c1 ZINC000051788008 171863254 /nfs/dbraw/zinc/86/32/54/171863254.db2.gz OUHLKXUENJMCGT-UHFFFAOYSA-N 0 0 200.285 3.189 10 0 BGAERN Cc1cccc(NCc2ccc[nH]2)c1C ZINC000051788012 179150485 /nfs/dbraw/zinc/15/04/85/179150485.db2.gz VWFKIGVJSCYJGV-UHFFFAOYSA-N 0 0 200.285 3.244 10 0 BGAERN Cc1ccc(C)c(NCc2ccc[nH]2)c1 ZINC000051788016 178484049 /nfs/dbraw/zinc/48/40/49/178484049.db2.gz MJKQTLNARXNQAK-UHFFFAOYSA-N 0 0 200.285 3.244 10 0 BGAERN Cc1nc2cc(NCc3ccc[nH]3)ccc2o1 ZINC000051788079 180083924 /nfs/dbraw/zinc/08/39/24/180083924.db2.gz CYVSCEPQSKAYBR-UHFFFAOYSA-N 0 0 227.267 3.076 10 0 BGAERN Fc1ccc(NCc2ccc[nH]2)cc1Cl ZINC000051788144 180977551 /nfs/dbraw/zinc/97/75/51/180977551.db2.gz HSFSNMXOKSIKLU-UHFFFAOYSA-N 0 0 224.666 3.419 10 0 BGAERN CC(C)Oc1ccc(NCc2ccc[nH]2)cc1 ZINC000051788154 167296587 /nfs/dbraw/zinc/29/65/87/167296587.db2.gz PBEFXZQAOKSPDE-UHFFFAOYSA-N 0 0 230.311 3.414 10 0 BGAERN CSc1ccccc1NCc1ccc[nH]1 ZINC000051788428 175583668 /nfs/dbraw/zinc/58/36/68/175583668.db2.gz KFRUTQKVZQJNKR-UHFFFAOYSA-N 0 0 218.325 3.349 10 0 BGAERN c1ccn(-c2cccc(NCc3ccc[nH]3)c2)c1 ZINC000051788891 183356955 /nfs/dbraw/zinc/35/69/55/183356955.db2.gz HZECSOXJKNGJCH-UHFFFAOYSA-N 0 0 237.306 3.418 10 0 BGAERN Oc1cccc2c(NCc3ccc[nH]3)cccc12 ZINC000051789024 183293854 /nfs/dbraw/zinc/29/38/54/183293854.db2.gz QKBOJCVEBUZXRL-UHFFFAOYSA-N 0 0 238.290 3.486 10 0 BGAERN c1c[nH]c(CNc2cccc(N3CCCC3)c2)c1 ZINC000051789275 183357806 /nfs/dbraw/zinc/35/78/06/183357806.db2.gz HZADSQPIMOXTCA-UHFFFAOYSA-N 0 0 241.338 3.227 10 0 BGAERN c1c[nH]c(CNc2ccc(-c3cnco3)cc2)c1 ZINC000051789277 183325607 /nfs/dbraw/zinc/32/56/07/183325607.db2.gz ALCKIIFZAUMWQQ-UHFFFAOYSA-N 0 0 239.278 3.282 10 0 BGAERN CCOc1cc(C)ccc1NCc1ccc[nH]1 ZINC000051789306 170520166 /nfs/dbraw/zinc/52/01/66/170520166.db2.gz UMNRCGYXKBVCTI-UHFFFAOYSA-N 0 0 230.311 3.334 10 0 BGAERN COc1ccc(Cl)c(NCc2ccc[nH]2)c1 ZINC000051789629 175119075 /nfs/dbraw/zinc/11/90/75/175119075.db2.gz XOEQZCHZUODTAS-UHFFFAOYSA-N 0 0 236.702 3.289 10 0 BGAERN Cc1ccc2[nH]c(-c3ncccc3C)nc2c1 ZINC000051813417 188299970 /nfs/dbraw/zinc/29/99/70/188299970.db2.gz BPAUEVRVKBXKQR-UHFFFAOYSA-N 0 0 223.279 3.242 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2ccnc(Cl)n2)C1 ZINC000051848926 350160432 /nfs/dbraw/zinc/16/04/32/350160432.db2.gz WATXMSYUQIINFA-BDAKNGLRSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@H]1CCC[C@H](Oc2ccnc(Cl)n2)C1 ZINC000051848928 350160557 /nfs/dbraw/zinc/16/05/57/350160557.db2.gz WATXMSYUQIINFA-IUCAKERBSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2ccnc(Cl)n2)C1 ZINC000051848929 350160505 /nfs/dbraw/zinc/16/05/05/350160505.db2.gz WATXMSYUQIINFA-RKDXNWHRSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2ccnc(Cl)n2)C1 ZINC000051848931 350160438 /nfs/dbraw/zinc/16/04/38/350160438.db2.gz WATXMSYUQIINFA-DTWKUNHWSA-N 0 0 226.707 3.088 10 0 BGAERN Cc1cccc(Oc2ccnc(Cl)n2)c1 ZINC000051849003 350160342 /nfs/dbraw/zinc/16/03/42/350160342.db2.gz GKEGNAOEASXSSV-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Cc1ccccc1Oc1ccnc(Cl)n1 ZINC000051849005 350160187 /nfs/dbraw/zinc/16/01/87/350160187.db2.gz BCMYDZPTDURGHU-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Clc1nccc(OC2CCCCCC2)n1 ZINC000051849065 350161157 /nfs/dbraw/zinc/16/11/57/350161157.db2.gz RVASNVVEUYQZQX-UHFFFAOYSA-N 0 0 226.707 3.232 10 0 BGAERN Fc1ccc(Nc2ccnc(Cl)n2)cc1F ZINC000051849259 180979867 /nfs/dbraw/zinc/97/98/67/180979867.db2.gz YPHPAXLHNSUNAQ-UHFFFAOYSA-N 0 0 241.628 3.152 10 0 BGAERN Fc1ccccc1Nc1ccnc(Cl)n1 ZINC000051849271 350161299 /nfs/dbraw/zinc/16/12/99/350161299.db2.gz CQWQUYBFIBWXER-UHFFFAOYSA-N 0 0 223.638 3.013 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000051849401 350161311 /nfs/dbraw/zinc/16/13/11/350161311.db2.gz LPHAZYLWPANHJV-BDAKNGLRSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@H]1CCCC[C@@H]1Nc1ccnc(Cl)n1 ZINC000051849402 350161441 /nfs/dbraw/zinc/16/14/41/350161441.db2.gz LPHAZYLWPANHJV-IUCAKERBSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@@H]1CCCC[C@H]1Nc1ccnc(Cl)n1 ZINC000051849404 350161305 /nfs/dbraw/zinc/16/13/05/350161305.db2.gz LPHAZYLWPANHJV-RKDXNWHRSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@H]1CCCC[C@H]1Nc1ccnc(Cl)n1 ZINC000051849406 350161510 /nfs/dbraw/zinc/16/15/10/350161510.db2.gz LPHAZYLWPANHJV-DTWKUNHWSA-N 0 0 225.723 3.121 10 0 BGAERN CC1CCC(Nc2ccnc(Cl)n2)CC1 ZINC000051849421 168165659 /nfs/dbraw/zinc/16/56/59/168165659.db2.gz QUHQYNSHAJVXKL-UHFFFAOYSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@@H]1CCC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000051849476 176144825 /nfs/dbraw/zinc/14/48/25/176144825.db2.gz QOIGORPUZVOWTL-BDAKNGLRSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@H]1CCC[C@H](Nc2ccnc(Cl)n2)C1 ZINC000051849478 177138440 /nfs/dbraw/zinc/13/84/40/177138440.db2.gz QOIGORPUZVOWTL-IUCAKERBSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@@H]1CCC[C@@H](Nc2ccnc(Cl)n2)C1 ZINC000051849480 176124127 /nfs/dbraw/zinc/12/41/27/176124127.db2.gz QOIGORPUZVOWTL-RKDXNWHRSA-N 0 0 225.723 3.121 10 0 BGAERN C[C@H](Nc1ccnc(Cl)n1)c1cccs1 ZINC000051849531 176937574 /nfs/dbraw/zinc/93/75/74/176937574.db2.gz AJAQYDJFRGUZLS-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1ccnc(Cl)n1)c1cccs1 ZINC000051849532 385956821 /nfs/dbraw/zinc/95/68/21/385956821.db2.gz AJAQYDJFRGUZLS-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN Clc1nccc(NCCC2CCCC2)n1 ZINC000051849627 350161455 /nfs/dbraw/zinc/16/14/55/350161455.db2.gz IXNWKYVSMGZKHB-UHFFFAOYSA-N 0 0 225.723 3.122 10 0 BGAERN Cc1ccccc1CN(C)c1ccnc(Cl)n1 ZINC000051849674 179272150 /nfs/dbraw/zinc/27/21/50/179272150.db2.gz QQCGHHYNQZIWCF-UHFFFAOYSA-N 0 0 247.729 3.075 10 0 BGAERN Cc1ccc([C@@H](C)Nc2ccnc(Cl)n2)o1 ZINC000051849866 178851282 /nfs/dbraw/zinc/85/12/82/178851282.db2.gz VFQNOIRASVZVAK-MRVPVSSYSA-N 0 0 237.690 3.205 10 0 BGAERN Cc1ccc([C@H](C)Nc2ccnc(Cl)n2)o1 ZINC000051849867 178900591 /nfs/dbraw/zinc/90/05/91/178900591.db2.gz VFQNOIRASVZVAK-QMMMGPOBSA-N 0 0 237.690 3.205 10 0 BGAERN C[C@H](N(C)c1ccnc(Cl)n1)C(C)(C)C ZINC000051850136 350162490 /nfs/dbraw/zinc/16/24/90/350162490.db2.gz VXALWRQSKHIEDG-QMMMGPOBSA-N 0 0 227.739 3.001 10 0 BGAERN C[C@@H](N(C)c1ccnc(Cl)n1)C(C)(C)C ZINC000051850137 350162515 /nfs/dbraw/zinc/16/25/15/350162515.db2.gz VXALWRQSKHIEDG-MRVPVSSYSA-N 0 0 227.739 3.001 10 0 BGAERN CC1(Nc2ccnc(Cl)n2)CCCCC1 ZINC000051850271 168065369 /nfs/dbraw/zinc/06/53/69/168065369.db2.gz MHNLCUYMHYFNJV-UHFFFAOYSA-N 0 0 225.723 3.265 10 0 BGAERN Clc1nccc(SCc2ccco2)n1 ZINC000051850466 350228015 /nfs/dbraw/zinc/22/80/15/350228015.db2.gz BLXYLBGGTKXFNH-UHFFFAOYSA-N 0 0 226.688 3.015 10 0 BGAERN Clc1nccc(Sc2cccs2)n1 ZINC000051850472 350227928 /nfs/dbraw/zinc/22/79/28/350227928.db2.gz PEUYSWKGGKGVQS-UHFFFAOYSA-N 0 0 228.729 3.343 10 0 BGAERN CC(C)(C)Sc1ccnc(Cl)n1 ZINC000051850481 350227942 /nfs/dbraw/zinc/22/79/42/350227942.db2.gz KYKLJXORMPEQGJ-UHFFFAOYSA-N 0 0 202.710 3.021 10 0 BGAERN Fc1ccccc1Sc1ccnc(Cl)n1 ZINC000051850492 350228085 /nfs/dbraw/zinc/22/80/85/350228085.db2.gz UGRPKKALHYJGHV-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN CCc1cccc(C)c1NCc1nccn1CC ZINC000051923590 134691158 /nfs/dbraw/zinc/69/11/58/134691158.db2.gz RJYZQAFVPLQBBB-UHFFFAOYSA-N 0 0 243.354 3.386 10 0 BGAERN Cc1ncn(CC(=O)c2ccccc2Cl)c1C ZINC000051927390 180286180 /nfs/dbraw/zinc/28/61/80/180286180.db2.gz LLLRXGCWLPHMKD-UHFFFAOYSA-N 0 0 248.713 3.036 10 0 BGAERN Clc1noc2cccc(Br)c12 ZINC000051951617 386548849 /nfs/dbraw/zinc/54/88/49/386548849.db2.gz FYJQRRNRMOCGKD-UHFFFAOYSA-N 0 0 232.464 3.244 10 0 BGAERN O[C@H](Cc1csc(C2CC2)n1)c1ccccc1 ZINC000051966408 183228536 /nfs/dbraw/zinc/22/85/36/183228536.db2.gz IXIBQYJGTAUZJQ-CYBMUJFWSA-N 0 0 245.347 3.297 10 0 BGAERN O[C@@H](Cc1csc(C2CC2)n1)c1ccccc1 ZINC000051966409 183183748 /nfs/dbraw/zinc/18/37/48/183183748.db2.gz IXIBQYJGTAUZJQ-ZDUSSCGKSA-N 0 0 245.347 3.297 10 0 BGAERN Cc1ccccc1CCc1nc2cccnc2[nH]1 ZINC000051985844 179267486 /nfs/dbraw/zinc/26/74/86/179267486.db2.gz ZQXBTCHATXSDGP-UHFFFAOYSA-N 0 0 237.306 3.052 10 0 BGAERN Cc1cccc(N[C@@H]2CCOc3ccccc32)n1 ZINC000051986968 179154551 /nfs/dbraw/zinc/15/45/51/179154551.db2.gz HEVOLGKFWUKXOJ-CYBMUJFWSA-N 0 0 240.306 3.326 10 0 BGAERN Cc1cccc(N[C@H]2CCOc3ccccc32)n1 ZINC000051986970 179157510 /nfs/dbraw/zinc/15/75/10/179157510.db2.gz HEVOLGKFWUKXOJ-ZDUSSCGKSA-N 0 0 240.306 3.326 10 0 BGAERN Fc1ccc(N[C@@H]2CCOc3ccccc32)nc1 ZINC000051987019 358769160 /nfs/dbraw/zinc/76/91/60/358769160.db2.gz UKQQYUPEBTYESY-GFCCVEGCSA-N 0 0 244.269 3.156 10 0 BGAERN Fc1ccc(N[C@H]2CCOc3ccccc32)nc1 ZINC000051987022 134693425 /nfs/dbraw/zinc/69/34/25/134693425.db2.gz UKQQYUPEBTYESY-LBPRGKRZSA-N 0 0 244.269 3.156 10 0 BGAERN Cc1ccnc(N[C@@H]2CCOc3ccccc32)c1 ZINC000051987044 384707910 /nfs/dbraw/zinc/70/79/10/384707910.db2.gz YPPHQUQDEKJCLU-CYBMUJFWSA-N 0 0 240.306 3.326 10 0 BGAERN Cc1ccnc(N[C@H]2CCOc3ccccc32)c1 ZINC000051987047 384706245 /nfs/dbraw/zinc/70/62/45/384706245.db2.gz YPPHQUQDEKJCLU-ZDUSSCGKSA-N 0 0 240.306 3.326 10 0 BGAERN O[C@H]1CCCC[C@H]1Nc1nccc2sccc21 ZINC000052006598 358117298 /nfs/dbraw/zinc/11/72/98/358117298.db2.gz ZBXRCGLFSKTQBI-MNOVXSKESA-N 0 0 248.351 3.012 10 0 BGAERN S=c1[nH]ncn1Cc1cccc2ccccc21 ZINC000052062831 183315434 /nfs/dbraw/zinc/31/54/34/183315434.db2.gz NLXLQGVDLGQZGY-UHFFFAOYSA-N 0 0 241.319 3.142 10 0 BGAERN Nc1cc(F)ccc1OCc1cccc(F)c1 ZINC000052064686 181687819 /nfs/dbraw/zinc/68/78/19/181687819.db2.gz IYWZBMMEAMTYBE-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN Cc1ccccc1COc1ccc(F)cc1N ZINC000052064711 179286517 /nfs/dbraw/zinc/28/65/17/179286517.db2.gz RKBVBTCKEDRJKL-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Nc1cc(F)ccc1OCc1ccsc1 ZINC000052064986 181687837 /nfs/dbraw/zinc/68/78/37/181687837.db2.gz AUBCYQQBBMCAEL-UHFFFAOYSA-N 0 0 223.272 3.048 10 0 BGAERN Fc1cc2nc(Cl)oc2c(Cl)c1 ZINC000052066146 350901924 /nfs/dbraw/zinc/90/19/24/350901924.db2.gz RJZVQNXBJILTPB-UHFFFAOYSA-N 0 0 206.003 3.274 10 0 BGAERN c1ccc(N[C@@H]2CCOc3ccccc32)nc1 ZINC000052076649 386874662 /nfs/dbraw/zinc/87/46/62/386874662.db2.gz MYKMQNNSQCAQMH-GFCCVEGCSA-N 0 0 226.279 3.017 10 0 BGAERN c1ccc(N[C@H]2CCOc3ccccc32)nc1 ZINC000052076651 386875723 /nfs/dbraw/zinc/87/57/23/386875723.db2.gz MYKMQNNSQCAQMH-LBPRGKRZSA-N 0 0 226.279 3.017 10 0 BGAERN C[C@@](O)(CNc1cccc(F)c1)c1ccccc1 ZINC000052097443 176519321 /nfs/dbraw/zinc/51/93/21/176519321.db2.gz PWFRUGIFLHWAIY-OAHLLOKOSA-N 0 0 245.297 3.145 10 0 BGAERN 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BGAERN CCOC(=O)[C@H](CC)c1ccccc1Cl ZINC000052248317 350972390 /nfs/dbraw/zinc/97/23/90/350972390.db2.gz JYJGDMZLBDPHFO-SECBINFHSA-N 0 0 226.703 3.397 10 0 BGAERN COC(=O)[C@H](c1ccccc1Cl)C(C)C ZINC000052248318 350972277 /nfs/dbraw/zinc/97/22/77/350972277.db2.gz JNDZGJMALQCVHT-NSHDSACASA-N 0 0 226.703 3.253 10 0 BGAERN COC(=O)[C@@H](c1ccccc1Cl)C(C)C ZINC000052248319 346296232 /nfs/dbraw/zinc/29/62/32/346296232.db2.gz JNDZGJMALQCVHT-LLVKDONJSA-N 0 0 226.703 3.253 10 0 BGAERN CCOC(=O)C(C)(C)C1(O)CCCCCCC1 ZINC000052256750 170186103 /nfs/dbraw/zinc/18/61/03/170186103.db2.gz DBYRPUNAJCVRNZ-UHFFFAOYSA-N 0 0 242.359 3.051 10 0 BGAERN C[C@@H]1C[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000052271699 384712685 /nfs/dbraw/zinc/71/26/85/384712685.db2.gz LEDITOGBSRIAFT-HQJQHLMTSA-N 0 0 230.138 3.491 10 0 BGAERN C[C@@H]1C[C@@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000052273478 188299542 /nfs/dbraw/zinc/29/95/42/188299542.db2.gz NIOYTNYRVNTKAY-LDWIPMOCSA-N 0 0 230.233 3.108 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ccc(N)c(C(F)(F)F)c1 ZINC000052273480 177350636 /nfs/dbraw/zinc/35/06/36/177350636.db2.gz NIOYTNYRVNTKAY-WKEGUHRASA-N 0 0 230.233 3.108 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000052273523 177350844 /nfs/dbraw/zinc/35/08/44/177350844.db2.gz HGRBVQQBVJLLQF-WKEGUHRASA-N 0 0 230.233 3.108 10 0 BGAERN C[C@@H]1C[C@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000052273525 176446837 /nfs/dbraw/zinc/44/68/37/176446837.db2.gz HGRBVQQBVJLLQF-LHLIQPBNSA-N 0 0 230.233 3.108 10 0 BGAERN C[C@H]1C[C@H]1Nc1ccc(C(F)(F)F)cc1N ZINC000052273527 177386411 /nfs/dbraw/zinc/38/64/11/177386411.db2.gz HGRBVQQBVJLLQF-QUBYGPBYSA-N 0 0 230.233 3.108 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ccc(N)cc1C(F)(F)F ZINC000052273586 177350576 /nfs/dbraw/zinc/35/05/76/177350576.db2.gz OPFGODADJKSWPC-WKEGUHRASA-N 0 0 230.233 3.108 10 0 BGAERN C[C@H]1C[C@H]1Nc1ccc(N)cc1C(F)(F)F ZINC000052273590 187610597 /nfs/dbraw/zinc/61/05/97/187610597.db2.gz OPFGODADJKSWPC-QUBYGPBYSA-N 0 0 230.233 3.108 10 0 BGAERN 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177350710 /nfs/dbraw/zinc/35/07/10/177350710.db2.gz KFKIGEAMKSKRES-CBAPKCEASA-N 0 0 204.298 3.117 10 0 BGAERN C[C@H]1C[C@H]1Nc1nc2ccccc2s1 ZINC000052291708 386905693 /nfs/dbraw/zinc/90/56/93/386905693.db2.gz KFKIGEAMKSKRES-IONNQARKSA-N 0 0 204.298 3.117 10 0 BGAERN C[C@@H]1C[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000052291786 134699782 /nfs/dbraw/zinc/69/97/82/134699782.db2.gz HAWOWWCPAQSUOT-XRGYYRRGSA-N 0 0 217.099 3.209 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ncc(Cl)cc1Cl ZINC000052291789 350981638 /nfs/dbraw/zinc/98/16/38/350981638.db2.gz HAWOWWCPAQSUOT-XNCJUZBTSA-N 0 0 217.099 3.209 10 0 BGAERN C[C@@H]1C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000052291792 134700347 /nfs/dbraw/zinc/70/03/47/134700347.db2.gz HAWOWWCPAQSUOT-SVGQVSJJSA-N 0 0 217.099 3.209 10 0 BGAERN C[C@H]1C[C@H]1Nc1ncc(Cl)cc1Cl ZINC000052291793 350981643 /nfs/dbraw/zinc/98/16/43/350981643.db2.gz HAWOWWCPAQSUOT-YLWLKBPMSA-N 0 0 217.099 3.209 10 0 BGAERN Cc1sc2ncnc(N[C@@H]3C[C@@H]3C)c2c1C ZINC000052291952 358778013 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170172404 /nfs/dbraw/zinc/17/24/04/170172404.db2.gz BHDFGRPWYRUCGE-UHFFFAOYSA-N 0 0 242.322 3.401 10 0 BGAERN CNc1ncccc1COc1ccccc1C ZINC000052734668 187271680 /nfs/dbraw/zinc/27/16/80/187271680.db2.gz OBWGIJAIYRWFCY-UHFFFAOYSA-N 0 0 228.295 3.011 10 0 BGAERN CCNc1cc(COc2ccc(F)cc2)ccn1 ZINC000052734689 170172526 /nfs/dbraw/zinc/17/25/26/170172526.db2.gz IRFZZTDGVLDSHP-UHFFFAOYSA-N 0 0 246.285 3.232 10 0 BGAERN CCCNc1cc(COc2ccccc2)ccn1 ZINC000052734701 169293988 /nfs/dbraw/zinc/29/39/88/169293988.db2.gz TVBCIMKFTOACMO-UHFFFAOYSA-N 0 0 242.322 3.483 10 0 BGAERN CCNc1cc(COc2cccc(F)c2)ccn1 ZINC000052754560 170171992 /nfs/dbraw/zinc/17/19/92/170171992.db2.gz MXQIZQYIKIZZFW-UHFFFAOYSA-N 0 0 246.285 3.232 10 0 BGAERN CCNc1cc(COc2ccc(C)cc2)ccn1 ZINC000052754758 170172288 /nfs/dbraw/zinc/17/22/88/170172288.db2.gz JLEIHGOVUHCXRF-UHFFFAOYSA-N 0 0 242.322 3.401 10 0 BGAERN CNc1ncccc1COCC1CCCCC1 ZINC000052755800 188126205 /nfs/dbraw/zinc/12/62/05/188126205.db2.gz SKXXWSJNENIYFU-UHFFFAOYSA-N 0 0 234.343 3.220 10 0 BGAERN Nc1ncccc1CSc1cccs1 ZINC000052755825 386083978 /nfs/dbraw/zinc/08/39/78/386083978.db2.gz RKQJZLCNLGJYMB-UHFFFAOYSA-N 0 0 222.338 3.018 10 0 BGAERN Nc1cc(CSc2cccs2)ccn1 ZINC000052755832 386085481 /nfs/dbraw/zinc/08/54/81/386085481.db2.gz SFEWLLIPUMLATM-UHFFFAOYSA-N 0 0 222.338 3.018 10 0 BGAERN CNc1cc(CSC(C)(C)C)ccn1 ZINC000052755842 386084501 /nfs/dbraw/zinc/08/45/01/386084501.db2.gz WYUNUHUEDQXZJK-UHFFFAOYSA-N 0 0 210.346 3.155 10 0 BGAERN CNc1ncccc1CSc1ccccc1 ZINC000052755891 344120811 /nfs/dbraw/zinc/12/08/11/344120811.db2.gz ORFZBSTYSLEFJU-UHFFFAOYSA-N 0 0 230.336 3.416 10 0 BGAERN CNc1ncccc1CSc1ccc(O)cc1 ZINC000052756515 188126520 /nfs/dbraw/zinc/12/65/20/188126520.db2.gz TYKAWGOVLXDMFC-UHFFFAOYSA-N 0 0 246.335 3.121 10 0 BGAERN CNc1ncccc1CSc1ccccc1O ZINC000052756609 187271261 /nfs/dbraw/zinc/27/12/61/187271261.db2.gz GDMUIXBMCUTHBS-UHFFFAOYSA-N 0 0 246.335 3.121 10 0 BGAERN Cc1cc(CNc2ccccc2)c(C)n1C ZINC000052789494 178043183 /nfs/dbraw/zinc/04/31/83/178043183.db2.gz NHCYILGYPXQYTR-UHFFFAOYSA-N 0 0 214.312 3.254 10 0 BGAERN CC(C)Oc1nc(Cl)nc2ccccc21 ZINC000052811316 352986683 /nfs/dbraw/zinc/98/66/83/352986683.db2.gz YNEXFKIQHIZZRJ-UHFFFAOYSA-N 0 0 222.675 3.070 10 0 BGAERN Clc1nc2ccccc2c(NCC2CC2)n1 ZINC000052811448 352988425 /nfs/dbraw/zinc/98/84/25/352988425.db2.gz HWEMBBXXFNSQPN-UHFFFAOYSA-N 0 0 233.702 3.105 10 0 BGAERN CCCN(C)c1nc(Cl)nc2ccccc21 ZINC000052811472 352988501 /nfs/dbraw/zinc/98/85/01/352988501.db2.gz MTACTCUUUBPKQK-UHFFFAOYSA-N 0 0 235.718 3.129 10 0 BGAERN Cc1cc(N)cnc1N(C)C1CCCCCC1 ZINC000052812869 187271314 /nfs/dbraw/zinc/27/13/14/187271314.db2.gz ANIMLXHEWYAQHR-UHFFFAOYSA-N 0 0 233.359 3.131 10 0 BGAERN Cc1ccccc1N(C)c1ncc(N)cc1C ZINC000052813475 179294975 /nfs/dbraw/zinc/29/49/75/179294975.db2.gz YPXRDIKLSQZULF-UHFFFAOYSA-N 0 0 227.311 3.049 10 0 BGAERN Cc1cc(N)cnc1Oc1ccc(F)cc1F ZINC000052813610 178108369 /nfs/dbraw/zinc/10/83/69/178108369.db2.gz NYNOPQNNQJTSDB-UHFFFAOYSA-N 0 0 236.221 3.043 10 0 BGAERN COc1cc(C)ccc1Oc1ncc(N)cc1C ZINC000052813643 174970142 /nfs/dbraw/zinc/97/01/42/174970142.db2.gz BEDQGRMSXJMBJA-UHFFFAOYSA-N 0 0 244.294 3.082 10 0 BGAERN COc1cccc(Sc2ncc(N)cc2C)c1 ZINC000052813777 175285892 /nfs/dbraw/zinc/28/58/92/175285892.db2.gz VIMYGHYAGSEOHK-UHFFFAOYSA-N 0 0 246.335 3.132 10 0 BGAERN Cc1cc(N)cnc1Sc1cccs1 ZINC000052813805 178108555 /nfs/dbraw/zinc/10/85/55/178108555.db2.gz SHMWNUVRKCTYFS-UHFFFAOYSA-N 0 0 222.338 3.185 10 0 BGAERN Cc1cc(OC2CCCCC2)nc(Cl)n1 ZINC000052813845 385992876 /nfs/dbraw/zinc/99/28/76/385992876.db2.gz SPVUBICEVMOIPC-UHFFFAOYSA-N 0 0 226.707 3.150 10 0 BGAERN Cc1cc(OCc2ccccc2)nc(Cl)n1 ZINC000052813847 178212216 /nfs/dbraw/zinc/21/22/16/178212216.db2.gz NSRUAVFRZLOKLL-UHFFFAOYSA-N 0 0 234.686 3.017 10 0 BGAERN CCC(C)(C)Oc1cc(C)nc(Cl)n1 ZINC000052813890 385992192 /nfs/dbraw/zinc/99/21/92/385992192.db2.gz ZLTRHFWKSTWUEK-UHFFFAOYSA-N 0 0 214.696 3.006 10 0 BGAERN Cc1cc(OCc2cccs2)nc(Cl)n1 ZINC000052814034 385993237 /nfs/dbraw/zinc/99/32/37/385993237.db2.gz AXFFGRRUEMWTPM-UHFFFAOYSA-N 0 0 240.715 3.079 10 0 BGAERN Cc1cc(N(C)Cc2ccccc2)nc(Cl)n1 ZINC000052814067 385991281 /nfs/dbraw/zinc/99/12/81/385991281.db2.gz SUHAZLWIPDZRAN-UHFFFAOYSA-N 0 0 247.729 3.075 10 0 BGAERN CCC(C)(C)Nc1cc(C)nc(Cl)n1 ZINC000052814123 385993241 /nfs/dbraw/zinc/99/32/41/385993241.db2.gz FDDWPQRIQSWKBB-UHFFFAOYSA-N 0 0 213.712 3.039 10 0 BGAERN COc1ccccc1Nc1cc(C)nc(Cl)n1 ZINC000052814128 175339474 /nfs/dbraw/zinc/33/94/74/175339474.db2.gz SHQSNRKLFUVGBC-UHFFFAOYSA-N 0 0 249.701 3.191 10 0 BGAERN Cc1cc(Nc2ccc(F)cc2)nc(Cl)n1 ZINC000052814163 344669029 /nfs/dbraw/zinc/66/90/29/344669029.db2.gz LWYCJAUUCMCAHL-UHFFFAOYSA-N 0 0 237.665 3.321 10 0 BGAERN COc1cccc(Nc2cc(C)nc(Cl)n2)c1 ZINC000052814176 175281010 /nfs/dbraw/zinc/28/10/10/175281010.db2.gz PMTNPADPODJPMO-UHFFFAOYSA-N 0 0 249.701 3.191 10 0 BGAERN Cc1ccc(Nc2cc(C)nc(Cl)n2)cc1 ZINC000052814178 344668846 /nfs/dbraw/zinc/66/88/46/344668846.db2.gz RTJIRHFUOHMMRS-UHFFFAOYSA-N 0 0 233.702 3.490 10 0 BGAERN Cc1cc(N2CCCCCCC2)nc(Cl)n1 ZINC000052814209 352983438 /nfs/dbraw/zinc/98/34/38/352983438.db2.gz XFIDMNGKZRYOIH-UHFFFAOYSA-N 0 0 239.750 3.209 10 0 BGAERN Cc1cc(NC2CCCCC2)nc(Cl)n1 ZINC000052814222 178154218 /nfs/dbraw/zinc/15/42/18/178154218.db2.gz FCZIYFITALPIDD-UHFFFAOYSA-N 0 0 225.723 3.183 10 0 BGAERN CCC(CC)Nc1cc(C)nc(Cl)n1 ZINC000052814230 352983338 /nfs/dbraw/zinc/98/33/38/352983338.db2.gz AUMVMRPWKNFCKO-UHFFFAOYSA-N 0 0 213.712 3.039 10 0 BGAERN Cc1cc(NCc2ccccc2)nc(Cl)n1 ZINC000052814243 352983160 /nfs/dbraw/zinc/98/31/60/352983160.db2.gz FRIAVOGKGFQNOF-UHFFFAOYSA-N 0 0 233.702 3.051 10 0 BGAERN Cc1cc(NCC2CCCCC2)nc(Cl)n1 ZINC000052814334 352983365 /nfs/dbraw/zinc/98/33/65/352983365.db2.gz BNDJLGLXVPCVRD-UHFFFAOYSA-N 0 0 239.750 3.431 10 0 BGAERN Cc1cc(N[C@@H](C)CC(C)C)nc(Cl)n1 ZINC000052814335 352983669 /nfs/dbraw/zinc/98/36/69/352983669.db2.gz LZCJXJCQJHSORH-QMMMGPOBSA-N 0 0 227.739 3.285 10 0 BGAERN Cc1cc(N[C@H](C)CC(C)C)nc(Cl)n1 ZINC000052814336 352983634 /nfs/dbraw/zinc/98/36/34/352983634.db2.gz LZCJXJCQJHSORH-MRVPVSSYSA-N 0 0 227.739 3.285 10 0 BGAERN Cc1cc(N[C@@H](C)c2cccnc2)nc(Cl)n1 ZINC000052814356 352983230 /nfs/dbraw/zinc/98/32/30/352983230.db2.gz QDPHMOGGLMRHGX-VIFPVBQESA-N 0 0 248.717 3.007 10 0 BGAERN Cc1cc(N[C@H](C)c2cccnc2)nc(Cl)n1 ZINC000052814357 352983333 /nfs/dbraw/zinc/98/33/33/352983333.db2.gz QDPHMOGGLMRHGX-SECBINFHSA-N 0 0 248.717 3.007 10 0 BGAERN Cc1cc(N[C@@H](C)c2ccccn2)nc(Cl)n1 ZINC000052814360 352983152 /nfs/dbraw/zinc/98/31/52/352983152.db2.gz WSQTVYQFCQKJEF-VIFPVBQESA-N 0 0 248.717 3.007 10 0 BGAERN Cc1cc(N[C@H](C)c2ccccn2)nc(Cl)n1 ZINC000052814361 352983654 /nfs/dbraw/zinc/98/36/54/352983654.db2.gz WSQTVYQFCQKJEF-SECBINFHSA-N 0 0 248.717 3.007 10 0 BGAERN Cc1cc(N[C@@H](C)c2ccco2)nc(Cl)n1 ZINC000052814374 178180695 /nfs/dbraw/zinc/18/06/95/178180695.db2.gz JRCJTFXPOYWLJT-QMMMGPOBSA-N 0 0 237.690 3.205 10 0 BGAERN Cc1cc(N[C@H](C)c2ccco2)nc(Cl)n1 ZINC000052814375 178187267 /nfs/dbraw/zinc/18/72/67/178187267.db2.gz JRCJTFXPOYWLJT-MRVPVSSYSA-N 0 0 237.690 3.205 10 0 BGAERN CC[C@@H](C)[C@@H](C)Nc1cc(C)nc(Cl)n1 ZINC000052814591 352983164 /nfs/dbraw/zinc/98/31/64/352983164.db2.gz VBIXAHOCRJWLBG-VXNVDRBHSA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@H](C)[C@@H](C)Nc1cc(C)nc(Cl)n1 ZINC000052814593 352983193 /nfs/dbraw/zinc/98/31/93/352983193.db2.gz VBIXAHOCRJWLBG-IONNQARKSA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@@H](C)[C@H](C)Nc1cc(C)nc(Cl)n1 ZINC000052814594 352983407 /nfs/dbraw/zinc/98/34/07/352983407.db2.gz VBIXAHOCRJWLBG-APPZFPTMSA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@H](C)[C@H](C)Nc1cc(C)nc(Cl)n1 ZINC000052814596 352983290 /nfs/dbraw/zinc/98/32/90/352983290.db2.gz VBIXAHOCRJWLBG-CBAPKCEASA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@H](Nc1cc(C)nc(Cl)n1)C(C)C ZINC000052814611 352983210 /nfs/dbraw/zinc/98/32/10/352983210.db2.gz MMJATARURHMGJD-VIFPVBQESA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@@H](Nc1cc(C)nc(Cl)n1)C(C)C ZINC000052814612 352983146 /nfs/dbraw/zinc/98/31/46/352983146.db2.gz MMJATARURHMGJD-SECBINFHSA-N 0 0 227.739 3.285 10 0 BGAERN Cc1cc(SCc2ccco2)nc(Cl)n1 ZINC000052815149 352983642 /nfs/dbraw/zinc/98/36/42/352983642.db2.gz FPVAALVWBCUZER-UHFFFAOYSA-N 0 0 240.715 3.324 10 0 BGAERN Cc1cc(SCC(C)C)nc(Cl)n1 ZINC000052815151 352983180 /nfs/dbraw/zinc/98/31/80/352983180.db2.gz RDZPHLZATYQSFX-UHFFFAOYSA-N 0 0 216.737 3.187 10 0 BGAERN CC[C@@H](C)Sc1cc(C)nc(Cl)n1 ZINC000052815161 352983183 /nfs/dbraw/zinc/98/31/83/352983183.db2.gz SFCALIQKJUURTM-SSDOTTSWSA-N 0 0 216.737 3.329 10 0 BGAERN CC[C@H](C)Sc1cc(C)nc(Cl)n1 ZINC000052815163 352983270 /nfs/dbraw/zinc/98/32/70/352983270.db2.gz SFCALIQKJUURTM-ZETCQYMHSA-N 0 0 216.737 3.329 10 0 BGAERN Cc1cc(SC(C)(C)C)nc(Cl)n1 ZINC000052815166 352983466 /nfs/dbraw/zinc/98/34/66/352983466.db2.gz XZTGGTWZOULJJJ-UHFFFAOYSA-N 0 0 216.737 3.329 10 0 BGAERN CCc1ccc([C@@H](C)Nc2cccnn2)cc1 ZINC000052830921 398076431 /nfs/dbraw/zinc/07/64/31/398076431.db2.gz TVCVRKAMVPTBEF-LLVKDONJSA-N 0 0 227.311 3.212 10 0 BGAERN CCc1ccc([C@H](C)Nc2cccnn2)cc1 ZINC000052830924 398076292 /nfs/dbraw/zinc/07/62/92/398076292.db2.gz TVCVRKAMVPTBEF-NSHDSACASA-N 0 0 227.311 3.212 10 0 BGAERN C[C@H](Nc1cccnn1)c1cccc(Cl)c1 ZINC000052830973 398076315 /nfs/dbraw/zinc/07/63/15/398076315.db2.gz SAUCUHVLBZLHLG-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@H](Nc1cccnn1)c1ccc(Cl)s1 ZINC000052831123 398076250 /nfs/dbraw/zinc/07/62/50/398076250.db2.gz RWALVIFVYRLDNR-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1cccnn1)c1ccc(Cl)s1 ZINC000052831124 398076298 /nfs/dbraw/zinc/07/62/98/398076298.db2.gz RWALVIFVYRLDNR-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@H](Nc1cccnn1)c1ccc(Cl)cc1 ZINC000052831191 398076217 /nfs/dbraw/zinc/07/62/17/398076217.db2.gz WGZOXUPMQAQAJD-VIFPVBQESA-N 0 0 233.702 3.303 10 0 BGAERN C[C@@H](Nc1cccnn1)c1ccc(Cl)cc1 ZINC000052831193 398076226 /nfs/dbraw/zinc/07/62/26/398076226.db2.gz WGZOXUPMQAQAJD-SECBINFHSA-N 0 0 233.702 3.303 10 0 BGAERN CC[C@H](Nc1cccnn1)c1cccs1 ZINC000052831210 171551726 /nfs/dbraw/zinc/55/17/26/171551726.db2.gz DIHBHGWERQFDKH-VIFPVBQESA-N 0 0 219.313 3.101 10 0 BGAERN CC[C@@H](Nc1cccnn1)c1cccs1 ZINC000052831212 170917097 /nfs/dbraw/zinc/91/70/97/170917097.db2.gz DIHBHGWERQFDKH-SECBINFHSA-N 0 0 219.313 3.101 10 0 BGAERN CC[C@H](Nc1cccnn1)c1ccccc1 ZINC000052831388 398076377 /nfs/dbraw/zinc/07/63/77/398076377.db2.gz FYNACCWKYNATPX-LBPRGKRZSA-N 0 0 213.284 3.040 10 0 BGAERN CC[C@@H](Nc1cccnn1)c1ccccc1 ZINC000052831390 170917013 /nfs/dbraw/zinc/91/70/13/170917013.db2.gz FYNACCWKYNATPX-GFCCVEGCSA-N 0 0 213.284 3.040 10 0 BGAERN Oc1cc2ccccc2cc1Oc1cccnn1 ZINC000052831701 183263557 /nfs/dbraw/zinc/26/35/57/183263557.db2.gz JZQXXRPJJNRAGQ-UHFFFAOYSA-N 0 0 238.246 3.128 10 0 BGAERN C[C@H](NC#N)c1ccc(Cl)cc1Cl ZINC000052832159 353108455 /nfs/dbraw/zinc/10/84/55/353108455.db2.gz SJUPKAPICSRLPH-LURJTMIESA-N 0 0 215.083 3.125 10 0 BGAERN C[C@@H](NC#N)c1ccc(Cl)cc1Cl ZINC000052832161 353108602 /nfs/dbraw/zinc/10/86/02/353108602.db2.gz SJUPKAPICSRLPH-ZCFIWIBFSA-N 0 0 215.083 3.125 10 0 BGAERN N#CNc1c(Cl)cccc1C(F)(F)F ZINC000052832268 353108516 /nfs/dbraw/zinc/10/85/16/353108516.db2.gz QKQOTINLDKGQBS-UHFFFAOYSA-N 0 0 220.581 3.252 10 0 BGAERN N#CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000052832302 353108390 /nfs/dbraw/zinc/10/83/90/353108390.db2.gz AKNUQVSOMVEQBV-UHFFFAOYSA-N 0 0 220.581 3.252 10 0 BGAERN Cc1nc(Cl)cc(OCc2ccccc2)n1 ZINC000052834820 411517102 /nfs/dbraw/zinc/51/71/02/411517102.db2.gz MNZIHPXJQRWCGK-UHFFFAOYSA-N 0 0 234.686 3.017 10 0 BGAERN Cc1nc(Cl)cc(OCc2cccs2)n1 ZINC000052835324 386095362 /nfs/dbraw/zinc/09/53/62/386095362.db2.gz CGHWPOOYGHYJKY-UHFFFAOYSA-N 0 0 240.715 3.079 10 0 BGAERN Cc1nc(Cl)cc(NC2CCC(C)CC2)n1 ZINC000052835990 385499531 /nfs/dbraw/zinc/49/95/31/385499531.db2.gz BNJZDNPGSVBKJT-UHFFFAOYSA-N 0 0 239.750 3.429 10 0 BGAERN Cc1nc(Cl)cc(N[C@@H](C)c2ccncc2)n1 ZINC000052836163 179988785 /nfs/dbraw/zinc/98/87/85/179988785.db2.gz RCIQGIQOHZVDKP-QMMMGPOBSA-N 0 0 248.717 3.007 10 0 BGAERN Cc1nc(Cl)cc(N[C@@H](C)c2ccco2)n1 ZINC000052836202 385498526 /nfs/dbraw/zinc/49/85/26/385498526.db2.gz PECNJOTYHRSQNH-ZETCQYMHSA-N 0 0 237.690 3.205 10 0 BGAERN Cc1nc(Cl)cc(N[C@H](C)c2ccco2)n1 ZINC000052836204 385498347 /nfs/dbraw/zinc/49/83/47/385498347.db2.gz PECNJOTYHRSQNH-SSDOTTSWSA-N 0 0 237.690 3.205 10 0 BGAERN CCC(CC)N(C)c1cc(Cl)nc(C)n1 ZINC000052836277 168369134 /nfs/dbraw/zinc/36/91/34/168369134.db2.gz DXJZOEJFCMKONI-UHFFFAOYSA-N 0 0 227.739 3.063 10 0 BGAERN CC[C@H](Nc1cc(Cl)nc(C)n1)C(C)C ZINC000052836692 632503547 /nfs/dbraw/zinc/50/35/47/632503547.db2.gz FSQWATZZQADBES-VIFPVBQESA-N 0 0 227.739 3.285 10 0 BGAERN CC[C@@H](Nc1cc(Cl)nc(C)n1)C(C)C ZINC000052836693 632504466 /nfs/dbraw/zinc/50/44/66/632504466.db2.gz FSQWATZZQADBES-SECBINFHSA-N 0 0 227.739 3.285 10 0 BGAERN Cc1nc(Cl)cc(SC(C)(C)C)n1 ZINC000052837673 353109089 /nfs/dbraw/zinc/10/90/89/353109089.db2.gz ZXFOSEPJPNYWDG-UHFFFAOYSA-N 0 0 216.737 3.329 10 0 BGAERN Cc1nc2cc(N)ccc2n1-c1ccccc1F ZINC000052842301 180082345 /nfs/dbraw/zinc/08/23/45/180082345.db2.gz JJHRXTOKYQUJAE-UHFFFAOYSA-N 0 0 241.269 3.055 10 0 BGAERN Cc1ccc(-n2cnc3cc(N)ccc32)cc1F ZINC000052842342 178347318 /nfs/dbraw/zinc/34/73/18/178347318.db2.gz QFXZNOWIPXAQRK-UHFFFAOYSA-N 0 0 241.269 3.055 10 0 BGAERN Cc1ccc(-n2cnc3cc(N)ccc32)cc1C ZINC000052842414 178347217 /nfs/dbraw/zinc/34/72/17/178347217.db2.gz DPDAXIGDCOLUHX-UHFFFAOYSA-N 0 0 237.306 3.225 10 0 BGAERN Nc1ccc2c(c1)ncn2-c1ccccc1Cl ZINC000052842427 181731247 /nfs/dbraw/zinc/73/12/47/181731247.db2.gz KFIUDLDLJGAPKO-UHFFFAOYSA-N 0 0 243.697 3.261 10 0 BGAERN Cc1nc2cc(N)ccc2n1-c1ccc(C)cc1 ZINC000052842503 178346124 /nfs/dbraw/zinc/34/61/24/178346124.db2.gz GHYOZNKPIAAHRV-UHFFFAOYSA-N 0 0 237.306 3.225 10 0 BGAERN Nc1ccc2c(c1)ncn2-c1ccc(Cl)cc1 ZINC000052842771 384749215 /nfs/dbraw/zinc/74/92/15/384749215.db2.gz WBWGFPNJNAFJOU-UHFFFAOYSA-N 0 0 243.697 3.261 10 0 BGAERN CC(C)n1c2ccc(N)cc2nc1C(F)(F)F ZINC000052852256 384749062 /nfs/dbraw/zinc/74/90/62/384749062.db2.gz JJPNMPTUEKCZQC-UHFFFAOYSA-N 0 0 243.232 3.218 10 0 BGAERN CCCCn1c2ccc(N)cc2nc1C1CC1 ZINC000052852262 169034282 /nfs/dbraw/zinc/03/42/82/169034282.db2.gz IWOWWBRWXAJYSB-UHFFFAOYSA-N 0 0 229.327 3.296 10 0 BGAERN CC(C)C[C@H](C)n1cnc2cc(N)ccc21 ZINC000052852584 187271458 /nfs/dbraw/zinc/27/14/58/187271458.db2.gz OFHUIDPBGITVRT-JTQLQIEISA-N 0 0 217.316 3.226 10 0 BGAERN C[C@@H](c1cccs1)n1cnc2cc(N)ccc21 ZINC000052852780 176033766 /nfs/dbraw/zinc/03/37/66/176033766.db2.gz ZQEBCUNDHUQECP-VIFPVBQESA-N 0 0 243.335 3.289 10 0 BGAERN C[C@H](c1cccs1)n1cnc2cc(N)ccc21 ZINC000052852781 177049835 /nfs/dbraw/zinc/04/98/35/177049835.db2.gz ZQEBCUNDHUQECP-SECBINFHSA-N 0 0 243.335 3.289 10 0 BGAERN C[C@H]1C[C@@H]1n1c2ccc(N)cc2nc1C(C)(C)C ZINC000052853526 177352730 /nfs/dbraw/zinc/35/27/30/177352730.db2.gz AUSUMNTZDWCAQD-ZANVPECISA-N 0 0 243.354 3.497 10 0 BGAERN C[C@H]1C[C@H]1n1c2ccc(N)cc2nc1C(C)(C)C ZINC000052853529 177387486 /nfs/dbraw/zinc/38/74/86/177387486.db2.gz AUSUMNTZDWCAQD-TVQRCGJNSA-N 0 0 243.354 3.497 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Cn1cnc2cc(N)ccc21 ZINC000052853717 176078060 /nfs/dbraw/zinc/07/80/60/176078060.db2.gz LRKNGVMMTMNQBA-VXGBXAGGSA-N 0 0 243.354 3.445 10 0 BGAERN C[C@@H]1CCCC[C@H]1Cn1cnc2cc(N)ccc21 ZINC000052853720 176085852 /nfs/dbraw/zinc/08/58/52/176085852.db2.gz LRKNGVMMTMNQBA-NEPJUHHUSA-N 0 0 243.354 3.445 10 0 BGAERN CC[C@H](C)[C@@H](C)n1cnc2cc(N)ccc21 ZINC000052853926 171367738 /nfs/dbraw/zinc/36/77/38/171367738.db2.gz PHZDUGQFIKLVND-VHSXEESVSA-N 0 0 217.316 3.226 10 0 BGAERN CC[C@H](C)[C@H](C)n1cnc2cc(N)ccc21 ZINC000052853930 171392225 /nfs/dbraw/zinc/39/22/25/171392225.db2.gz PHZDUGQFIKLVND-UWVGGRQHSA-N 0 0 217.316 3.226 10 0 BGAERN CC[C@@H](C(C)C)n1cnc2cc(N)ccc21 ZINC000052854031 170674504 /nfs/dbraw/zinc/67/45/04/170674504.db2.gz LDMGEBVMMCXVLW-LBPRGKRZSA-N 0 0 217.316 3.226 10 0 BGAERN CC[C@H](C(C)C)n1cnc2cc(N)ccc21 ZINC000052854033 171243389 /nfs/dbraw/zinc/24/33/89/171243389.db2.gz LDMGEBVMMCXVLW-GFCCVEGCSA-N 0 0 217.316 3.226 10 0 BGAERN O=Cc1csc(-c2cc(Cl)ccc2F)n1 ZINC000052859414 353117424 /nfs/dbraw/zinc/11/74/24/353117424.db2.gz NQNUUASQOIWTTK-UHFFFAOYSA-N 0 0 241.674 3.415 10 0 BGAERN O=Cc1cnc(-c2cc(Cl)ccc2F)s1 ZINC000052859417 353117321 /nfs/dbraw/zinc/11/73/21/353117321.db2.gz AMDSYVKDBDPEPS-UHFFFAOYSA-N 0 0 241.674 3.415 10 0 BGAERN CCOC(=O)[C@](C)(Nc1ccccc1)C(C)C ZINC000052883765 170284127 /nfs/dbraw/zinc/28/41/27/170284127.db2.gz UISUPUQVFDCWAB-CQSZACIVSA-N 0 0 235.327 3.076 10 0 BGAERN CCOC(=O)[C@@](C)(Nc1ccccc1)C(C)C ZINC000052883766 170261432 /nfs/dbraw/zinc/26/14/32/170261432.db2.gz UISUPUQVFDCWAB-AWEZNQCLSA-N 0 0 235.327 3.076 10 0 BGAERN CC(C)c1ccn(-c2ccc(F)cc2[C@H](C)O)n1 ZINC000052884657 167644830 /nfs/dbraw/zinc/64/48/30/167644830.db2.gz MGWAKMGJMHKTEU-JTQLQIEISA-N 0 0 248.301 3.188 10 0 BGAERN Nc1ccc(-c2cccc3ccccc32)cn1 ZINC000052886376 384017632 /nfs/dbraw/zinc/01/76/32/384017632.db2.gz CQWQZIBSRSDRBX-UHFFFAOYSA-N 0 0 220.275 3.484 10 0 BGAERN Nc1ccc(-c2ccc3c(c2)CCCC3)cn1 ZINC000052886413 487656077 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3.436 10 0 BGAERN CCC(CC)(CO)Nc1ccc2ccccc2n1 ZINC000053071162 168329456 /nfs/dbraw/zinc/32/94/56/168329456.db2.gz GMBIRIKPVWZCGL-UHFFFAOYSA-N 0 0 244.338 3.198 10 0 BGAERN O=C(Cc1cccnc1)c1ccccc1Cl ZINC000053130130 182049140 /nfs/dbraw/zinc/04/91/40/182049140.db2.gz OTLPNAMLUSPWHK-UHFFFAOYSA-N 0 0 231.682 3.160 10 0 BGAERN Cc1cc(C)cc(C(=O)Cc2cccnc2)c1 ZINC000053130192 384763969 /nfs/dbraw/zinc/76/39/69/384763969.db2.gz PYBZYRATTDHOSH-UHFFFAOYSA-N 0 0 225.291 3.124 10 0 BGAERN O=C(Cc1cccnc1)Cc1cccc(Cl)c1 ZINC000053130213 182046101 /nfs/dbraw/zinc/04/61/01/182046101.db2.gz FRJJBLXRYJFIQM-UHFFFAOYSA-N 0 0 245.709 3.089 10 0 BGAERN CC(C)c1cc(Cl)nc(Cc2ccncc2)n1 ZINC000053133903 167571262 /nfs/dbraw/zinc/57/12/62/167571262.db2.gz ALHNWCUOTBXUTN-UHFFFAOYSA-N 0 0 247.729 3.239 10 0 BGAERN Cc1ccc(CC(=O)C2CCC2)cc1C ZINC000053138940 353766553 /nfs/dbraw/zinc/76/65/53/353766553.db2.gz RNVMUTBWSHRXSP-UHFFFAOYSA-N 0 0 202.297 3.215 10 0 BGAERN Cc1ccc(CC(=O)[C@@H]2C[C@@H]2C)cc1C ZINC000053138949 353766571 /nfs/dbraw/zinc/76/65/71/353766571.db2.gz MZSVQJJQTJEUSU-WCQYABFASA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(CC(=O)[C@H]2C[C@@H]2C)cc1C ZINC000053138955 353766565 /nfs/dbraw/zinc/76/65/65/353766565.db2.gz MZSVQJJQTJEUSU-AAEUAGOBSA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(CC(=O)[C@@H]2C[C@H]2C)cc1C ZINC000053138958 353766546 /nfs/dbraw/zinc/76/65/46/353766546.db2.gz MZSVQJJQTJEUSU-DGCLKSJQSA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(CC(=O)[C@H]2C[C@H]2C)cc1C ZINC000053138963 353766646 /nfs/dbraw/zinc/76/66/46/353766646.db2.gz MZSVQJJQTJEUSU-YPMHNXCESA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(C)c(CC(=O)C2CCC2)c1 ZINC000053143537 353830903 /nfs/dbraw/zinc/83/09/03/353830903.db2.gz FOIITKUQFODLFP-UHFFFAOYSA-N 0 0 202.297 3.215 10 0 BGAERN Cc1ccc(C)c(CC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000053143546 353830996 /nfs/dbraw/zinc/83/09/96/353830996.db2.gz ITPLTIMTSWECEJ-WCQYABFASA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(C)c(CC(=O)[C@H]2C[C@@H]2C)c1 ZINC000053143550 353830900 /nfs/dbraw/zinc/83/09/00/353830900.db2.gz ITPLTIMTSWECEJ-AAEUAGOBSA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(C)c(CC(=O)[C@@H]2C[C@H]2C)c1 ZINC000053143553 353830657 /nfs/dbraw/zinc/83/06/57/353830657.db2.gz ITPLTIMTSWECEJ-DGCLKSJQSA-N 0 0 202.297 3.071 10 0 BGAERN Cc1ccc(C)c(CC(=O)[C@H]2C[C@H]2C)c1 ZINC000053143555 353830932 /nfs/dbraw/zinc/83/09/32/353830932.db2.gz ITPLTIMTSWECEJ-YPMHNXCESA-N 0 0 202.297 3.071 10 0 BGAERN C[C@@H]1C[C@H](C)CN(c2c(N)ccc(F)c2F)C1 ZINC000053163001 132362802 /nfs/dbraw/zinc/36/28/02/132362802.db2.gz HZKGVVIKVATSQC-DTORHVGOSA-N 0 0 240.297 3.029 10 0 BGAERN C[C@H]1C[C@H](C)CN(c2c(N)ccc(F)c2F)C1 ZINC000053163005 132362907 /nfs/dbraw/zinc/36/29/07/132362907.db2.gz HZKGVVIKVATSQC-IUCAKERBSA-N 0 0 240.297 3.029 10 0 BGAERN C[C@@H]1C[C@@H](C)CN(c2c(N)ccc(F)c2F)C1 ZINC000053163008 132362932 /nfs/dbraw/zinc/36/29/32/132362932.db2.gz HZKGVVIKVATSQC-RKDXNWHRSA-N 0 0 240.297 3.029 10 0 BGAERN CN(Cc1ccccc1)c1c(N)ccc(F)c1F ZINC000053163065 355534670 /nfs/dbraw/zinc/53/46/70/355534670.db2.gz BJVYNLXWDUQTDP-UHFFFAOYSA-N 0 0 248.276 3.183 10 0 BGAERN Nc1ccc(F)c(F)c1NCc1ccccc1 ZINC000053163454 386933145 /nfs/dbraw/zinc/93/31/45/386933145.db2.gz SIYNEODLHFQAKV-UHFFFAOYSA-N 0 0 234.249 3.159 10 0 BGAERN CC(C)CCNc1c(N)ccc(F)c1F ZINC000053163514 166868298 /nfs/dbraw/zinc/86/82/98/166868298.db2.gz RZAIGMDFNZGPMI-UHFFFAOYSA-N 0 0 214.259 3.005 10 0 BGAERN CC(C)[C@@H](C)Nc1c(N)ccc(F)c1F ZINC000053163782 167385190 /nfs/dbraw/zinc/38/51/90/167385190.db2.gz BTWPGMIFZMYFGN-SSDOTTSWSA-N 0 0 214.259 3.003 10 0 BGAERN CCC(C)(C)Nc1c(N)ccc(F)c1F ZINC000053163811 168303129 /nfs/dbraw/zinc/30/31/29/168303129.db2.gz JMYZASNZPKSXLX-UHFFFAOYSA-N 0 0 214.259 3.148 10 0 BGAERN Nc1ccc(F)c(F)c1Nc1ccccc1F ZINC000053164304 181711076 /nfs/dbraw/zinc/71/10/76/181711076.db2.gz IVNNPQWEDFEGAQ-UHFFFAOYSA-N 0 0 238.212 3.430 10 0 BGAERN Nc1ccc(F)c(F)c1NCc1cccs1 ZINC000053164628 181710381 /nfs/dbraw/zinc/71/03/81/181710381.db2.gz IZYPLCCJVVESEX-UHFFFAOYSA-N 0 0 240.278 3.221 10 0 BGAERN CC[C@@H]1CCCN(c2c(N)ccc(F)c2F)C1 ZINC000053165419 132362895 /nfs/dbraw/zinc/36/28/95/132362895.db2.gz FKQXKIQLSTUYLV-SECBINFHSA-N 0 0 240.297 3.173 10 0 BGAERN CC[C@H]1CCCN(c2c(N)ccc(F)c2F)C1 ZINC000053165424 132362826 /nfs/dbraw/zinc/36/28/26/132362826.db2.gz FKQXKIQLSTUYLV-VIFPVBQESA-N 0 0 240.297 3.173 10 0 BGAERN C[C@H](N(C)c1c(N)ccc(F)c1F)C(C)(C)C ZINC000053167117 176744726 /nfs/dbraw/zinc/74/47/26/176744726.db2.gz JAGXMBPZBVDBSY-QMMMGPOBSA-N 0 0 242.313 3.418 10 0 BGAERN Nc1ccc(F)c(F)c1OCc1ccccc1 ZINC000053167965 355614664 /nfs/dbraw/zinc/61/46/64/355614664.db2.gz MCWZISKGNQBWCH-UHFFFAOYSA-N 0 0 235.233 3.126 10 0 BGAERN CC[C@@H](C)Sc1c(N)ccc(F)c1F ZINC000053168473 355619652 /nfs/dbraw/zinc/61/96/52/355619652.db2.gz JNTGDWORBGUFET-ZCFIWIBFSA-N 0 0 217.284 3.438 10 0 BGAERN CC[C@H](C)Sc1c(N)ccc(F)c1F ZINC000053168477 355620649 /nfs/dbraw/zinc/62/06/49/355620649.db2.gz JNTGDWORBGUFET-LURJTMIESA-N 0 0 217.284 3.438 10 0 BGAERN CC(C)(C)Sc1c(N)ccc(F)c1F ZINC000053168482 355620670 /nfs/dbraw/zinc/62/06/70/355620670.db2.gz RIISSCQMJFODQI-UHFFFAOYSA-N 0 0 217.284 3.438 10 0 BGAERN CCCSc1c(N)ccc(F)c1F ZINC000053168485 355620569 /nfs/dbraw/zinc/62/05/69/355620569.db2.gz MNJXMJNZACJBTO-UHFFFAOYSA-N 0 0 203.257 3.049 10 0 BGAERN CC(C)CSc1c(N)ccc(F)c1F ZINC000053168493 355620609 /nfs/dbraw/zinc/62/06/09/355620609.db2.gz IEXIOSOSENQKBB-UHFFFAOYSA-N 0 0 217.284 3.295 10 0 BGAERN CC(C)Sc1c(N)ccc(F)c1F ZINC000053168538 167336112 /nfs/dbraw/zinc/33/61/12/167336112.db2.gz PDTSGOMSERTXJL-UHFFFAOYSA-N 0 0 203.257 3.048 10 0 BGAERN COC[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000053171941 355748793 /nfs/dbraw/zinc/74/87/93/355748793.db2.gz RZKCNKHMBAEBOW-ZETCQYMHSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000053171943 355748859 /nfs/dbraw/zinc/74/88/59/355748859.db2.gz RZKCNKHMBAEBOW-SSDOTTSWSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000053172179 355748862 /nfs/dbraw/zinc/74/88/62/355748862.db2.gz QJFJMOBRZGNSOD-ZETCQYMHSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000053172181 355748785 /nfs/dbraw/zinc/74/87/85/355748785.db2.gz QJFJMOBRZGNSOD-SSDOTTSWSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@H](C)Nc1cccc(Cl)c1Cl ZINC000053172797 355754454 /nfs/dbraw/zinc/75/44/54/355754454.db2.gz FAGNRFZIBZTMEH-ZETCQYMHSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000053172800 355754807 /nfs/dbraw/zinc/75/48/07/355754807.db2.gz FAGNRFZIBZTMEH-SSDOTTSWSA-N 0 0 234.126 3.440 10 0 BGAERN COC[C@H](C)Nc1ccc2sccc2c1 ZINC000053173405 174552731 /nfs/dbraw/zinc/55/27/31/174552731.db2.gz XDLXKTQDGZBRSC-VIFPVBQESA-N 0 0 221.325 3.348 10 0 BGAERN COC[C@@H](C)Nc1ccc(-c2coc(C)n2)cc1 ZINC000053173668 174461695 /nfs/dbraw/zinc/46/16/95/174461695.db2.gz XHBGUXYKGXALGM-SNVBAGLBSA-N 0 0 246.310 3.097 10 0 BGAERN Nc1ncc(Cc2ccccc2)c2ccccc12 ZINC000053277451 368331569 /nfs/dbraw/zinc/33/15/69/368331569.db2.gz NUPSDJAQBLLBGS-UHFFFAOYSA-N 0 0 234.302 3.408 10 0 BGAERN CCc1ccc(C2(O)CCCCC2)cc1 ZINC000053296580 386831094 /nfs/dbraw/zinc/83/10/94/386831094.db2.gz CAVRFJRTYOKPCS-UHFFFAOYSA-N 0 0 204.313 3.401 10 0 BGAERN CCc1ccc(C(=O)Cc2ccncc2)cc1 ZINC000053296899 384781395 /nfs/dbraw/zinc/78/13/95/384781395.db2.gz QFBMOGOXFITTIA-UHFFFAOYSA-N 0 0 225.291 3.069 10 0 BGAERN COC(=O)c1ccc2c(c1)[nH]c1cc(C)ccc12 ZINC000053297662 385638077 /nfs/dbraw/zinc/63/80/77/385638077.db2.gz UFXIHZWQCNKOSA-UHFFFAOYSA-N 0 0 239.274 3.416 10 0 BGAERN CCC(=O)NC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000053298167 168227457 /nfs/dbraw/zinc/22/74/57/168227457.db2.gz DBCVLWIYERCSLQ-UHFFFAOYSA-N 0 0 248.326 3.042 10 0 BGAERN Cc1cc(C)c(CC(=O)c2cccnc2)c(C)c1 ZINC000053300788 177856174 /nfs/dbraw/zinc/85/61/74/177856174.db2.gz VTCPGKNLFDIIIT-UHFFFAOYSA-N 0 0 239.318 3.432 10 0 BGAERN Cc1cc(C)c(CC(=O)C(C)C)c(C)c1 ZINC000053300802 356465452 /nfs/dbraw/zinc/46/54/52/356465452.db2.gz DOAHIFSGXVIPKI-UHFFFAOYSA-N 0 0 204.313 3.379 10 0 BGAERN CCOC(=O)[C@@H](CC)c1cc(C)ccc1C ZINC000053302968 356466051 /nfs/dbraw/zinc/46/60/51/356466051.db2.gz ABEQJWDDKSOPKI-LBPRGKRZSA-N 0 0 220.312 3.360 10 0 BGAERN CCOC(=O)[C@H](CC)c1cc(C)ccc1C ZINC000053302970 356465744 /nfs/dbraw/zinc/46/57/44/356465744.db2.gz ABEQJWDDKSOPKI-GFCCVEGCSA-N 0 0 220.312 3.360 10 0 BGAERN Cc1ccc([C@]2(O)CCc3ccccc32)cc1C ZINC000053303542 178927042 /nfs/dbraw/zinc/92/70/42/178927042.db2.gz GXNKJYCTCXNOQT-QGZVFWFLSA-N 0 0 238.330 3.486 10 0 BGAERN Cc1ccc(C(=O)Cc2ccncc2)cc1C ZINC000053303705 178374545 /nfs/dbraw/zinc/37/45/45/178374545.db2.gz KXMOHFBIDQICAP-UHFFFAOYSA-N 0 0 225.291 3.124 10 0 BGAERN Cc1cccc(-c2cnc(N)s2)c1C ZINC000053327748 386868737 /nfs/dbraw/zinc/86/87/37/386868737.db2.gz INFXKXRYDXVZTP-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1cccc([C@]2(O)CCc3ccccc32)c1C ZINC000053328198 188300906 /nfs/dbraw/zinc/30/09/06/188300906.db2.gz QSXQBFITBWFLIN-QGZVFWFLSA-N 0 0 238.330 3.486 10 0 BGAERN Cc1cccc([C@@]2(O)CCc3ccccc32)c1C ZINC000053328202 179191297 /nfs/dbraw/zinc/19/12/97/179191297.db2.gz QSXQBFITBWFLIN-KRWDZBQOSA-N 0 0 238.330 3.486 10 0 BGAERN Cc1cccc(C(=O)CC(F)(F)F)c1C ZINC000053328812 356612292 /nfs/dbraw/zinc/61/22/92/356612292.db2.gz USTGJFPUXXUJHO-UHFFFAOYSA-N 0 0 216.202 3.439 10 0 BGAERN Cc1cccc(C(=O)Cc2ccncc2)c1C ZINC000053328852 179004006 /nfs/dbraw/zinc/00/40/06/179004006.db2.gz QCGQLHQTPHTNRP-UHFFFAOYSA-N 0 0 225.291 3.124 10 0 BGAERN CCCC(=O)c1cc(CCC)ccc1O ZINC000053333157 634159330 /nfs/dbraw/zinc/15/93/30/634159330.db2.gz LVSFARPVFNWLET-UHFFFAOYSA-N 0 0 206.285 3.328 10 0 BGAERN CCCc1ccc(O)c(C(=O)C(C)C)c1 ZINC000053333159 634158910 /nfs/dbraw/zinc/15/89/10/634158910.db2.gz FLDOPHLWGINXPV-UHFFFAOYSA-N 0 0 206.285 3.183 10 0 BGAERN CCCc1ccc(Oc2ncccc2CO)cc1 ZINC000053333902 169573812 /nfs/dbraw/zinc/57/38/12/169573812.db2.gz AYIUYUPFUYGKJX-UHFFFAOYSA-N 0 0 243.306 3.319 10 0 BGAERN O=C1c2ccccc2CCC[C@@H]1C[C@@H]1CCCO1 ZINC000053336226 182845745 /nfs/dbraw/zinc/84/57/45/182845745.db2.gz QYMXBXUWHHCGEF-KGLIPLIRSA-N 0 0 244.334 3.391 10 0 BGAERN O=C1c2ccccc2CCC[C@H]1C[C@@H]1CCCO1 ZINC000053336228 182846279 /nfs/dbraw/zinc/84/62/79/182846279.db2.gz QYMXBXUWHHCGEF-KBPBESRZSA-N 0 0 244.334 3.391 10 0 BGAERN O=C1c2ccccc2CCC[C@@H]1C[C@H]1CCCO1 ZINC000053336231 182845812 /nfs/dbraw/zinc/84/58/12/182845812.db2.gz QYMXBXUWHHCGEF-ZIAGYGMSSA-N 0 0 244.334 3.391 10 0 BGAERN CC(C)[C@@H](C)NC(=O)CCCc1cccs1 ZINC000053495198 363357057 /nfs/dbraw/zinc/35/70/57/363357057.db2.gz JUVDJTRHSGZWHG-LLVKDONJSA-N 0 0 239.384 3.232 10 0 BGAERN CC(C)[C@H](C)NC(=O)CCCc1cccs1 ZINC000053495199 363357171 /nfs/dbraw/zinc/35/71/71/363357171.db2.gz JUVDJTRHSGZWHG-NSHDSACASA-N 0 0 239.384 3.232 10 0 BGAERN Cc1cc(C(=O)N[C@@H](C)C(C)C)c(C)s1 ZINC000053495219 488093320 /nfs/dbraw/zinc/09/33/20/488093320.db2.gz YQYBAXYJPMXKBA-VIFPVBQESA-N 0 0 225.357 3.139 10 0 BGAERN Cc1cc(C(=O)N[C@H](C)C(C)C)c(C)s1 ZINC000053495221 488093181 /nfs/dbraw/zinc/09/31/81/488093181.db2.gz YQYBAXYJPMXKBA-SECBINFHSA-N 0 0 225.357 3.139 10 0 BGAERN CCc1ccc(C(=O)N[C@@H](C)C(C)C)s1 ZINC000053495415 636710338 /nfs/dbraw/zinc/71/03/38/636710338.db2.gz VSRIQSVLDWIDPZ-VIFPVBQESA-N 0 0 225.357 3.085 10 0 BGAERN CCc1ccc(C(=O)N[C@H](C)C(C)C)s1 ZINC000053495417 636712218 /nfs/dbraw/zinc/71/22/18/636712218.db2.gz VSRIQSVLDWIDPZ-SECBINFHSA-N 0 0 225.357 3.085 10 0 BGAERN Cc1cc(C)n([C@@H](C)CNc2ccccc2)n1 ZINC000053520905 188300821 /nfs/dbraw/zinc/30/08/21/188300821.db2.gz MSQJVBLOOMENJB-ZDUSSCGKSA-N 0 0 229.327 3.173 10 0 BGAERN Cc1cc(C)n([C@H](C)CNc2ccccc2)n1 ZINC000053520908 177932101 /nfs/dbraw/zinc/93/21/01/177932101.db2.gz MSQJVBLOOMENJB-CYBMUJFWSA-N 0 0 229.327 3.173 10 0 BGAERN Cc1cccc(NCCn2ccnc2C(C)C)c1 ZINC000053524946 179145915 /nfs/dbraw/zinc/14/59/15/179145915.db2.gz POYVUVYYSWMZOK-UHFFFAOYSA-N 0 0 243.354 3.427 10 0 BGAERN Cc1ncn([C@@H](C)CNc2ccccc2)c1C ZINC000053535846 180288789 /nfs/dbraw/zinc/28/87/89/180288789.db2.gz CQSCLWRGMBQVRB-NSHDSACASA-N 0 0 229.327 3.173 10 0 BGAERN Cc1ncn([C@H](C)CNc2ccccc2)c1C ZINC000053535847 180290082 /nfs/dbraw/zinc/29/00/82/180290082.db2.gz CQSCLWRGMBQVRB-LLVKDONJSA-N 0 0 229.327 3.173 10 0 BGAERN Cc1ncn(CCCNc2ccccc2)c1C ZINC000053535894 180285878 /nfs/dbraw/zinc/28/58/78/180285878.db2.gz FXBMNMFEPGLWDW-UHFFFAOYSA-N 0 0 229.327 3.002 10 0 BGAERN Cc1nn(CCNc2ccccc2)c(C)c1Cl ZINC000053536550 180389444 /nfs/dbraw/zinc/38/94/44/180389444.db2.gz OJHIBIMMGDORKH-UHFFFAOYSA-N 0 0 249.745 3.265 10 0 BGAERN Cc1nn(CCNc2ccc(F)cc2)c(C)c1C ZINC000053540064 180389643 /nfs/dbraw/zinc/38/96/43/180389643.db2.gz OZFVXJWGUQTXBQ-UHFFFAOYSA-N 0 0 247.317 3.060 10 0 BGAERN CCc1c(C)nn(CCNc2ccccc2)c1C ZINC000053541075 171741861 /nfs/dbraw/zinc/74/18/61/171741861.db2.gz MLTSIJMXYKGGGQ-UHFFFAOYSA-N 0 0 243.354 3.174 10 0 BGAERN CCc1nccn1[C@@H](C)CNc1ccccc1 ZINC000053541360 172029178 /nfs/dbraw/zinc/02/91/78/172029178.db2.gz RANAQXWSAXPGGT-LBPRGKRZSA-N 0 0 229.327 3.119 10 0 BGAERN CCc1nccn1[C@H](C)CNc1ccccc1 ZINC000053541363 172029692 /nfs/dbraw/zinc/02/96/92/172029692.db2.gz RANAQXWSAXPGGT-GFCCVEGCSA-N 0 0 229.327 3.119 10 0 BGAERN Fc1ccc(NCCOCc2ccccc2)cc1 ZINC000053543618 180977885 /nfs/dbraw/zinc/97/78/85/180977885.db2.gz LRKJRLDOUHDESN-UHFFFAOYSA-N 0 0 245.297 3.454 10 0 BGAERN CSCCNc1ccccc1Cl ZINC000053646618 357118014 /nfs/dbraw/zinc/11/80/14/357118014.db2.gz ZWBXAZYOSVNMRG-UHFFFAOYSA-N 0 0 201.722 3.115 10 0 BGAERN CSCCNc1ccc(Cl)cc1 ZINC000053646620 357117890 /nfs/dbraw/zinc/11/78/90/357117890.db2.gz PKPWYYVKYAHVOX-UHFFFAOYSA-N 0 0 201.722 3.115 10 0 BGAERN CSCCNc1cccc(Cl)c1 ZINC000053646708 357118278 /nfs/dbraw/zinc/11/82/78/357118278.db2.gz SQHWJFICALYMFO-UHFFFAOYSA-N 0 0 201.722 3.115 10 0 BGAERN CSCCNc1ccc(Br)cc1 ZINC000053646784 357117767 /nfs/dbraw/zinc/11/77/67/357117767.db2.gz HWRUSMJKUONLEU-UHFFFAOYSA-N 0 0 246.173 3.224 10 0 BGAERN Cc1cccc(CCC(=O)N[C@@H](C)C(C)C)c1 ZINC000053664142 539012116 /nfs/dbraw/zinc/01/21/16/539012116.db2.gz HROILHOMKYRHHT-ZDUSSCGKSA-N 0 0 233.355 3.088 10 0 BGAERN Cc1cccc(CCC(=O)N[C@H](C)C(C)C)c1 ZINC000053664144 539012146 /nfs/dbraw/zinc/01/21/46/539012146.db2.gz HROILHOMKYRHHT-CYBMUJFWSA-N 0 0 233.355 3.088 10 0 BGAERN c1csc(N[C@@H]2CCOc3ccccc32)n1 ZINC000053674405 634299521 /nfs/dbraw/zinc/29/95/21/634299521.db2.gz FWVKYYURBNMDON-SNVBAGLBSA-N 0 0 232.308 3.079 10 0 BGAERN c1csc(N[C@H]2CCOc3ccccc32)n1 ZINC000053674407 634299632 /nfs/dbraw/zinc/29/96/32/634299632.db2.gz FWVKYYURBNMDON-JTQLQIEISA-N 0 0 232.308 3.079 10 0 BGAERN Cc1cc(N)ccc1NC(=O)C1CCCCCC1 ZINC000053713117 178106225 /nfs/dbraw/zinc/10/62/25/178106225.db2.gz HEYYHMXNCGAUIR-UHFFFAOYSA-N 0 0 246.354 3.486 10 0 BGAERN Cc1cccc(N)c1NC(=O)C1CCCCCC1 ZINC000053713164 179119378 /nfs/dbraw/zinc/11/93/78/179119378.db2.gz HGPGRYSKKSIDJR-UHFFFAOYSA-N 0 0 246.354 3.486 10 0 BGAERN CN(C(=O)C1CCCCCC1)c1cccc(N)c1 ZINC000053713268 172299103 /nfs/dbraw/zinc/29/91/03/172299103.db2.gz APICZZBSUZGZDH-UHFFFAOYSA-N 0 0 246.354 3.202 10 0 BGAERN Cc1ccc(N)cc1N(C)Cc1ccccc1 ZINC000053734442 387470841 /nfs/dbraw/zinc/47/08/41/387470841.db2.gz SFQLDEMGYYJIKU-UHFFFAOYSA-N 0 0 226.323 3.214 10 0 BGAERN Cc1ccc(N)cc1NCc1ccccc1 ZINC000053734550 357163979 /nfs/dbraw/zinc/16/39/79/357163979.db2.gz RKQQAQWGRFBQGL-UHFFFAOYSA-N 0 0 212.296 3.189 10 0 BGAERN COc1ccccc1Nc1cc(N)ccc1C ZINC000053734661 175339784 /nfs/dbraw/zinc/33/97/84/175339784.db2.gz RCIGOMDKNHXYPL-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN Cc1ccc(N)cc1N[C@H](C)c1cccnc1 ZINC000053734957 178709200 /nfs/dbraw/zinc/70/92/00/178709200.db2.gz GRXWPTJYVCQJSU-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN Cc1ccc(N)cc1N[C@H](C)c1ccccn1 ZINC000053734965 178710008 /nfs/dbraw/zinc/71/00/08/178710008.db2.gz ZJISHUMBTBCKFC-LLVKDONJSA-N 0 0 227.311 3.145 10 0 BGAERN COc1ccc(N(C)c2cc(N)ccc2C)cc1 ZINC000053735554 175136344 /nfs/dbraw/zinc/13/63/44/175136344.db2.gz BIFRVHQWJDIQKS-UHFFFAOYSA-N 0 0 242.322 3.354 10 0 BGAERN Cc1ccc(N)cc1N1Cc2ccccc2C1 ZINC000053735593 178708034 /nfs/dbraw/zinc/70/80/34/178708034.db2.gz HJKPGKMYPUMTRB-UHFFFAOYSA-N 0 0 224.307 3.097 10 0 BGAERN Cc1ccc(N)cc1SCc1ccco1 ZINC000053735695 178709195 /nfs/dbraw/zinc/70/91/95/178709195.db2.gz GHKQQDAACZOKQY-UHFFFAOYSA-N 0 0 219.309 3.463 10 0 BGAERN CCNc1ccnc(Cc2cc(C)cc(C)c2)n1 ZINC000053749899 170175195 /nfs/dbraw/zinc/17/51/95/170175195.db2.gz JUVNKBPMXMXMEV-UHFFFAOYSA-N 0 0 241.338 3.116 10 0 BGAERN C[C@@H]1CCC[C@H](c2noc(Cl)n2)C1 ZINC000053750008 357166662 /nfs/dbraw/zinc/16/66/62/357166662.db2.gz CGVURIDNYHBLHQ-RQJHMYQMSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@H]1CCC[C@H](c2noc(Cl)n2)C1 ZINC000053750009 357167086 /nfs/dbraw/zinc/16/70/86/357167086.db2.gz CGVURIDNYHBLHQ-BQBZGAKWSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@@H]1CCC[C@@H](c2noc(Cl)n2)C1 ZINC000053750011 357166646 /nfs/dbraw/zinc/16/66/46/357166646.db2.gz CGVURIDNYHBLHQ-RNFRBKRXSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@H]1CCC[C@@H](c2noc(Cl)n2)C1 ZINC000053750012 357167152 /nfs/dbraw/zinc/16/71/52/357167152.db2.gz CGVURIDNYHBLHQ-NKWVEPMBSA-N 0 0 200.669 3.017 10 0 BGAERN CC1CCC(c2noc(Cl)n2)CC1 ZINC000053750031 357166360 /nfs/dbraw/zinc/16/63/60/357166360.db2.gz LJIANSGIGHDGPV-UHFFFAOYSA-N 0 0 200.669 3.017 10 0 BGAERN CCNc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000053750327 170175757 /nfs/dbraw/zinc/17/57/57/170175757.db2.gz MDTVDUUBINUSKQ-UHFFFAOYSA-N 0 0 231.299 3.292 10 0 BGAERN CCCNc1nc(-c2ccccc2Cl)no1 ZINC000053750346 169296138 /nfs/dbraw/zinc/29/61/38/169296138.db2.gz IIFGUAICQROARJ-UHFFFAOYSA-N 0 0 237.690 3.212 10 0 BGAERN CCCNc1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000053750406 169296135 /nfs/dbraw/zinc/29/61/35/169296135.db2.gz MNXZENNASRTAKZ-VHSXEESVSA-N 0 0 223.320 3.185 10 0 BGAERN CCCNc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000053750408 169295670 /nfs/dbraw/zinc/29/56/70/169295670.db2.gz MNXZENNASRTAKZ-UWVGGRQHSA-N 0 0 223.320 3.185 10 0 BGAERN CCCNc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000053750410 169295903 /nfs/dbraw/zinc/29/59/03/169295903.db2.gz MNXZENNASRTAKZ-NXEZZACHSA-N 0 0 223.320 3.185 10 0 BGAERN CCCNc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000053750412 169295912 /nfs/dbraw/zinc/29/59/12/169295912.db2.gz MNXZENNASRTAKZ-ZJUUUORDSA-N 0 0 223.320 3.185 10 0 BGAERN CCCNc1nc(C2CCC(C)CC2)no1 ZINC000053750431 169296010 /nfs/dbraw/zinc/29/60/10/169296010.db2.gz CVVZKRBPOBNUKP-UHFFFAOYSA-N 0 0 223.320 3.185 10 0 BGAERN CCCNc1nc(-c2ccc(Cl)cc2)no1 ZINC000053750454 169295647 /nfs/dbraw/zinc/29/56/47/169295647.db2.gz VHEMRRUCBBLZDW-UHFFFAOYSA-N 0 0 237.690 3.212 10 0 BGAERN CCCNc1nc(-c2cccc(Cl)c2)no1 ZINC000053750460 169295568 /nfs/dbraw/zinc/29/55/68/169295568.db2.gz REAGMDZWEJCKHS-UHFFFAOYSA-N 0 0 237.690 3.212 10 0 BGAERN CCCNc1nc(-c2ccc(CC)cc2)no1 ZINC000053750470 169295928 /nfs/dbraw/zinc/29/59/28/169295928.db2.gz MDXKPEDXKLIOTN-UHFFFAOYSA-N 0 0 231.299 3.121 10 0 BGAERN CC(C)Nc1nc(-c2ccccc2Cl)no1 ZINC000053750492 167148977 /nfs/dbraw/zinc/14/89/77/167148977.db2.gz FYNDERWMXQJFNW-UHFFFAOYSA-N 0 0 237.690 3.210 10 0 BGAERN CC(C)Nc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000053750550 167149757 /nfs/dbraw/zinc/14/97/57/167149757.db2.gz IPVJUSGRAGCZOT-ZJUUUORDSA-N 0 0 223.320 3.184 10 0 BGAERN CC(C)Nc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000053750551 167150526 /nfs/dbraw/zinc/15/05/26/167150526.db2.gz IPVJUSGRAGCZOT-UWVGGRQHSA-N 0 0 223.320 3.184 10 0 BGAERN CC(C)Nc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000053750553 167148851 /nfs/dbraw/zinc/14/88/51/167148851.db2.gz IPVJUSGRAGCZOT-NXEZZACHSA-N 0 0 223.320 3.184 10 0 BGAERN CC(C)Nc1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000053750555 167150642 /nfs/dbraw/zinc/15/06/42/167150642.db2.gz IPVJUSGRAGCZOT-VHSXEESVSA-N 0 0 223.320 3.184 10 0 BGAERN CC(C)Nc1nc(C2CCC(C)CC2)no1 ZINC000053750575 168169373 /nfs/dbraw/zinc/16/93/73/168169373.db2.gz QQJXMWIWGSSXCU-UHFFFAOYSA-N 0 0 223.320 3.184 10 0 BGAERN Cc1ccc(-c2noc(NC(C)C)n2)cc1F ZINC000053750585 178343570 /nfs/dbraw/zinc/34/35/70/178343570.db2.gz BPEFPNXPIQBSIG-UHFFFAOYSA-N 0 0 235.262 3.004 10 0 BGAERN CC(C)Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000053750599 167149771 /nfs/dbraw/zinc/14/97/71/167149771.db2.gz URXUMGCWHLPGMB-UHFFFAOYSA-N 0 0 237.690 3.210 10 0 BGAERN CC(C)Nc1nc(-c2cccc(Cl)c2)no1 ZINC000053750606 167148768 /nfs/dbraw/zinc/14/87/68/167148768.db2.gz PJIBAHBDQCTCQI-UHFFFAOYSA-N 0 0 237.690 3.210 10 0 BGAERN Cc1ccc(-c2noc(NC(C)(C)C)n2)cc1F ZINC000053750859 178343430 /nfs/dbraw/zinc/34/34/30/178343430.db2.gz ZNOZLQLINOBVEB-UHFFFAOYSA-N 0 0 249.289 3.395 10 0 BGAERN Cc1ccccc1-c1noc(NC(C)(C)C)n1 ZINC000053750861 525020148 /nfs/dbraw/zinc/02/01/48/525020148.db2.gz SBBVGXHRYBUGQX-UHFFFAOYSA-N 0 0 231.299 3.255 10 0 BGAERN Cc1ccc(-c2noc(NC(C)(C)C)n2)cc1 ZINC000053750863 525883858 /nfs/dbraw/zinc/88/38/58/525883858.db2.gz NEXFVZBNWHDXIM-UHFFFAOYSA-N 0 0 231.299 3.255 10 0 BGAERN Cc1cccc(-c2noc(NC(C)(C)C)n2)c1 ZINC000053750866 524133989 /nfs/dbraw/zinc/13/39/89/524133989.db2.gz UYYFSLJLJYKKLQ-UHFFFAOYSA-N 0 0 231.299 3.255 10 0 BGAERN CC(C)(C)Nc1nc(-c2ccsc2)no1 ZINC000053750902 166639643 /nfs/dbraw/zinc/63/96/43/166639643.db2.gz CCFVPJXLZNXFPX-UHFFFAOYSA-N 0 0 223.301 3.009 10 0 BGAERN CC(C)CNc1nc(C2CCCCC2)no1 ZINC000053750935 167019259 /nfs/dbraw/zinc/01/92/59/167019259.db2.gz FYTJRCCHFRHQBA-UHFFFAOYSA-N 0 0 223.320 3.185 10 0 BGAERN CC(C)CNc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000053750977 167018471 /nfs/dbraw/zinc/01/84/71/167018471.db2.gz HPJKCZPWHLJUHL-MNOVXSKESA-N 0 0 237.347 3.431 10 0 BGAERN CC(C)CNc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000053750978 167019834 /nfs/dbraw/zinc/01/98/34/167019834.db2.gz HPJKCZPWHLJUHL-QWRGUYRKSA-N 0 0 237.347 3.431 10 0 BGAERN CC(C)CNc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000053750980 167018324 /nfs/dbraw/zinc/01/83/24/167018324.db2.gz HPJKCZPWHLJUHL-GHMZBOCLSA-N 0 0 237.347 3.431 10 0 BGAERN CC(C)CNc1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000053750982 167019105 /nfs/dbraw/zinc/01/91/05/167019105.db2.gz HPJKCZPWHLJUHL-WDEREUQCSA-N 0 0 237.347 3.431 10 0 BGAERN Cc1ccc(F)cc1-c1noc(NCC(C)C)n1 ZINC000053751002 178681336 /nfs/dbraw/zinc/68/13/36/178681336.db2.gz ZBKFUSNNADHVJQ-UHFFFAOYSA-N 0 0 249.289 3.252 10 0 BGAERN Cc1ccccc1-c1noc(NCC(C)C)n1 ZINC000053751009 179241015 /nfs/dbraw/zinc/24/10/15/179241015.db2.gz PFARETBUORRJCE-UHFFFAOYSA-N 0 0 231.299 3.113 10 0 BGAERN Cc1cccc(-c2noc(NCC(C)C)n2)c1 ZINC000053751014 524133008 /nfs/dbraw/zinc/13/30/08/524133008.db2.gz JOUFXAPDAWVRCV-UHFFFAOYSA-N 0 0 231.299 3.113 10 0 BGAERN Cc1cccc([C@@H]2CCCC[C@@H]2O)c1C ZINC000053751474 259375413 /nfs/dbraw/zinc/37/54/13/259375413.db2.gz XDKSGEARTSZVQN-KBPBESRZSA-N 0 0 204.313 3.322 10 0 BGAERN Cc1cccc([C@H]2CCCC[C@H]2O)c1C ZINC000053751479 259375438 /nfs/dbraw/zinc/37/54/38/259375438.db2.gz XDKSGEARTSZVQN-ZIAGYGMSSA-N 0 0 204.313 3.322 10 0 BGAERN COCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000053763220 174170000 /nfs/dbraw/zinc/17/00/00/174170000.db2.gz SVYPBOFHIBWYCZ-UHFFFAOYSA-N 0 0 246.228 3.315 10 0 BGAERN CCOCCC(=O)c1ccc(C(C)C)cc1 ZINC000053763286 170363783 /nfs/dbraw/zinc/36/37/83/170363783.db2.gz DDQOYVRCRPRHAZ-UHFFFAOYSA-N 0 0 220.312 3.419 10 0 BGAERN O=C(Cc1ccc(Cl)s1)c1ccccn1 ZINC000053763790 357171504 /nfs/dbraw/zinc/17/15/04/357171504.db2.gz AMNZNVFJERHCRZ-UHFFFAOYSA-N 0 0 237.711 3.222 10 0 BGAERN O=C(CCCc1ccccc1)c1cccnc1 ZINC000053763990 181913904 /nfs/dbraw/zinc/91/39/04/181913904.db2.gz FYCHNMIXHWEDSY-UHFFFAOYSA-N 0 0 225.291 3.287 10 0 BGAERN O=C(Cc1ccc(Cl)s1)c1ccncc1 ZINC000053764023 357171501 /nfs/dbraw/zinc/17/15/01/357171501.db2.gz SCJXYPKMUHHWMM-UHFFFAOYSA-N 0 0 237.711 3.222 10 0 BGAERN CC(C)C(=O)Cc1ccc(F)cc1Cl ZINC000053765143 357171474 /nfs/dbraw/zinc/17/14/74/357171474.db2.gz XTBRBWXPEATECM-UHFFFAOYSA-N 0 0 214.667 3.247 10 0 BGAERN CC(C)C(=O)Cc1ccc(Br)s1 ZINC000053765146 357171549 /nfs/dbraw/zinc/17/15/49/357171549.db2.gz JCYHKNQSJYTIHO-UHFFFAOYSA-N 0 0 247.157 3.278 10 0 BGAERN CC(C)C(=O)Cc1ccc(Cl)s1 ZINC000053765148 357171486 /nfs/dbraw/zinc/17/14/86/357171486.db2.gz KEAXDOBWATZXNZ-UHFFFAOYSA-N 0 0 202.706 3.169 10 0 BGAERN CC(C)C(=O)Cc1sccc1Br ZINC000053765210 357171534 /nfs/dbraw/zinc/17/15/34/357171534.db2.gz BDVSCAUXUWZCPI-UHFFFAOYSA-N 0 0 247.157 3.278 10 0 BGAERN Cc1cccc(C(=O)CCOCC(F)(F)F)c1 ZINC000053765607 188300330 /nfs/dbraw/zinc/30/03/30/188300330.db2.gz FBBZBNUPUWMTCL-UHFFFAOYSA-N 0 0 246.228 3.147 10 0 BGAERN CCC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000053765636 168209896 /nfs/dbraw/zinc/20/98/96/168209896.db2.gz KDBPGWFKRWWBOS-UHFFFAOYSA-N 0 0 216.202 3.227 10 0 BGAERN CCC(=O)Cc1ccc(Br)s1 ZINC000053765644 343652547 /nfs/dbraw/zinc/65/25/47/343652547.db2.gz RTRMYAFCEZUEBM-UHFFFAOYSA-N 0 0 233.130 3.032 10 0 BGAERN CCC(=O)Cc1ccc(F)cc1Br ZINC000053765668 343652401 /nfs/dbraw/zinc/65/24/01/343652401.db2.gz BBTIKINUOJNELC-UHFFFAOYSA-N 0 0 245.091 3.110 10 0 BGAERN CCC(=O)Cc1cc(Br)cs1 ZINC000053765705 357171506 /nfs/dbraw/zinc/17/15/06/357171506.db2.gz VOQOTOPBBVUVBN-UHFFFAOYSA-N 0 0 233.130 3.032 10 0 BGAERN CCC(=O)Cc1sccc1Br ZINC000053765711 357171476 /nfs/dbraw/zinc/17/14/76/357171476.db2.gz RFDBNJSGEBVRDL-UHFFFAOYSA-N 0 0 233.130 3.032 10 0 BGAERN O=C(Cc1ccc(F)cc1Cl)C1CC1 ZINC000053766028 357171499 /nfs/dbraw/zinc/17/14/99/357171499.db2.gz NTJRAXJFNJHSNA-UHFFFAOYSA-N 0 0 212.651 3.001 10 0 BGAERN O=C(Cc1ccc(Br)s1)C1CC1 ZINC000053766031 357171623 /nfs/dbraw/zinc/17/16/23/357171623.db2.gz ISQAEWRJQAODBQ-UHFFFAOYSA-N 0 0 245.141 3.032 10 0 BGAERN O=C(Cc1sccc1Br)C1CC1 ZINC000053766094 357171586 /nfs/dbraw/zinc/17/15/86/357171586.db2.gz MSQFQFVMEFVQIQ-UHFFFAOYSA-N 0 0 245.141 3.032 10 0 BGAERN O=C(Cc1cccc2ccccc21)c1ncccn1 ZINC000053766433 182042840 /nfs/dbraw/zinc/04/28/40/182042840.db2.gz KOHLHFKDGMSEST-UHFFFAOYSA-N 0 0 248.285 3.055 10 0 BGAERN Cc1cccnc1C(=O)CC1CCCC1 ZINC000053779751 357175339 /nfs/dbraw/zinc/17/53/39/357175339.db2.gz RDVQZOWDHIMQRD-UHFFFAOYSA-N 0 0 203.285 3.153 10 0 BGAERN O[C@@H](CCOc1ccccc1)Cc1cccs1 ZINC000053781151 183174317 /nfs/dbraw/zinc/17/43/17/183174317.db2.gz PJFYEZOTBQTPFL-LBPRGKRZSA-N 0 0 248.347 3.121 10 0 BGAERN CC[C@H](C)C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000053781584 171299574 /nfs/dbraw/zinc/29/95/74/171299574.db2.gz ZKSYIHXQROADNR-JQWIXIFHSA-N 0 0 238.327 3.173 10 0 BGAERN CC[C@H](C)C[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000053781588 171296448 /nfs/dbraw/zinc/29/64/48/171296448.db2.gz ZKSYIHXQROADNR-CMPLNLGQSA-N 0 0 238.327 3.173 10 0 BGAERN O[C@H](Cc1ccsc1)c1cccs1 ZINC000053782128 357179303 /nfs/dbraw/zinc/17/93/03/357179303.db2.gz CPFOAZKTLDMKFZ-SECBINFHSA-N 0 0 210.323 3.086 10 0 BGAERN O[C@@H](Cc1ccsc1)c1cccs1 ZINC000053782130 357179482 /nfs/dbraw/zinc/17/94/82/357179482.db2.gz CPFOAZKTLDMKFZ-VIFPVBQESA-N 0 0 210.323 3.086 10 0 BGAERN COCCC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000053782185 174264605 /nfs/dbraw/zinc/26/46/05/174264605.db2.gz LGMWODOATGTPQL-NSHDSACASA-N 0 0 248.244 3.165 10 0 BGAERN CCCC[C@H](O)Cc1cccc(Cl)c1 ZINC000053782626 357180009 /nfs/dbraw/zinc/18/00/09/357180009.db2.gz OPJGAUCBPIYGEU-LBPRGKRZSA-N 0 0 212.720 3.434 10 0 BGAERN CCCC[C@@H](O)Cc1cccc(Cl)c1 ZINC000053782627 357180052 /nfs/dbraw/zinc/18/00/52/357180052.db2.gz OPJGAUCBPIYGEU-GFCCVEGCSA-N 0 0 212.720 3.434 10 0 BGAERN CCc1ccc(C[C@@H](O)Cc2ccccc2)s1 ZINC000053782753 171814000 /nfs/dbraw/zinc/81/40/00/171814000.db2.gz JJCYHADKXPFGDU-ZDUSSCGKSA-N 0 0 246.375 3.457 10 0 BGAERN 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/nfs/dbraw/zinc/08/71/46/347087146.db2.gz DNVGJXOGNHPVIM-LBPRGKRZSA-N 0 0 212.720 3.434 10 0 BGAERN CCCC[C@@H](O)Cc1ccc(Cl)cc1 ZINC000053783395 347087508 /nfs/dbraw/zinc/08/75/08/347087508.db2.gz DNVGJXOGNHPVIM-GFCCVEGCSA-N 0 0 212.720 3.434 10 0 BGAERN O[C@H](Cc1ccsc1)c1ccccc1 ZINC000053783932 357180037 /nfs/dbraw/zinc/18/00/37/357180037.db2.gz VVWLKGTXFGOUHQ-GFCCVEGCSA-N 0 0 204.294 3.024 10 0 BGAERN O[C@@H](Cc1ccsc1)c1ccccc1 ZINC000053783933 357180064 /nfs/dbraw/zinc/18/00/64/357180064.db2.gz VVWLKGTXFGOUHQ-LBPRGKRZSA-N 0 0 204.294 3.024 10 0 BGAERN CC(C)[C@H](O)Cc1cccc2ccccc21 ZINC000053783960 357180014 /nfs/dbraw/zinc/18/00/14/357180014.db2.gz SCDJRPJWJTXDAC-OAHLLOKOSA-N 0 0 214.308 3.399 10 0 BGAERN CC(C)[C@@H](O)Cc1cccc2ccccc21 ZINC000053783961 357180016 /nfs/dbraw/zinc/18/00/16/357180016.db2.gz SCDJRPJWJTXDAC-HNNXBMFYSA-N 0 0 214.308 3.399 10 0 BGAERN CC(C)[C@H](O)Cc1cc(Br)cs1 ZINC000053784010 343652328 /nfs/dbraw/zinc/65/23/28/343652328.db2.gz WDFVUHDCKFANAE-SECBINFHSA-N 0 0 249.173 3.070 10 0 BGAERN CC(C)[C@@H](O)Cc1cc(Br)cs1 ZINC000053784011 357180001 /nfs/dbraw/zinc/18/00/01/357180001.db2.gz WDFVUHDCKFANAE-VIFPVBQESA-N 0 0 249.173 3.070 10 0 BGAERN CC(C)[C@H](O)Cc1sccc1Br ZINC000053784014 357180043 /nfs/dbraw/zinc/18/00/43/357180043.db2.gz DABJZGWGCJGYIP-MRVPVSSYSA-N 0 0 249.173 3.070 10 0 BGAERN CC(C)[C@@H](O)Cc1sccc1Br ZINC000053784015 357180012 /nfs/dbraw/zinc/18/00/12/357180012.db2.gz DABJZGWGCJGYIP-QMMMGPOBSA-N 0 0 249.173 3.070 10 0 BGAERN CC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000053784381 357180035 /nfs/dbraw/zinc/18/00/35/357180035.db2.gz PKGYTCSOHJPEMZ-JTQLQIEISA-N 0 0 218.218 3.019 10 0 BGAERN CC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000053784382 357180007 /nfs/dbraw/zinc/18/00/07/357180007.db2.gz PKGYTCSOHJPEMZ-SNVBAGLBSA-N 0 0 218.218 3.019 10 0 BGAERN O[C@@H](Cc1ccsc1)C1CCCCC1 ZINC000053784559 357178407 /nfs/dbraw/zinc/17/84/07/357178407.db2.gz BPZDVHPPPNRAQT-LBPRGKRZSA-N 0 0 210.342 3.232 10 0 BGAERN O[C@H](Cc1ccsc1)C1CCCCC1 ZINC000053784560 357178599 /nfs/dbraw/zinc/17/85/99/357178599.db2.gz BPZDVHPPPNRAQT-GFCCVEGCSA-N 0 0 210.342 3.232 10 0 BGAERN O[C@@H](Cc1cccc(F)c1F)C1CCCCC1 ZINC000053784561 183183890 /nfs/dbraw/zinc/18/38/90/183183890.db2.gz AGSQYKLNYPCNNO-ZDUSSCGKSA-N 0 0 240.293 3.449 10 0 BGAERN O[C@H](Cc1cccc(F)c1F)C1CCCCC1 ZINC000053784562 183227730 /nfs/dbraw/zinc/22/77/30/183227730.db2.gz AGSQYKLNYPCNNO-CYBMUJFWSA-N 0 0 240.293 3.449 10 0 BGAERN CCC[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000053784597 357178005 /nfs/dbraw/zinc/17/80/05/357178005.db2.gz SYNKIGSLUXQKCN-NSHDSACASA-N 0 0 232.245 3.409 10 0 BGAERN CCC[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000053784598 357178370 /nfs/dbraw/zinc/17/83/70/357178370.db2.gz SYNKIGSLUXQKCN-LLVKDONJSA-N 0 0 232.245 3.409 10 0 BGAERN CCC[C@H](O)Cc1ccc(OC(F)(F)F)cc1 ZINC000053784615 169521071 /nfs/dbraw/zinc/52/10/71/169521071.db2.gz ZSKZRHOXWRRKLP-JTQLQIEISA-N 0 0 248.244 3.289 10 0 BGAERN CCC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000053784655 357178414 /nfs/dbraw/zinc/17/84/14/357178414.db2.gz FBPSVMDAJLOSDR-NSHDSACASA-N 0 0 232.245 3.409 10 0 BGAERN CCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000053784656 357178288 /nfs/dbraw/zinc/17/82/88/357178288.db2.gz FBPSVMDAJLOSDR-LLVKDONJSA-N 0 0 232.245 3.409 10 0 BGAERN O[C@@H](Cc1ccc(Cl)s1)C1CCCC1 ZINC000053785263 357178162 /nfs/dbraw/zinc/17/81/62/357178162.db2.gz FRURSHNIDUGFHA-JTQLQIEISA-N 0 0 230.760 3.495 10 0 BGAERN O[C@H](Cc1ccc(Cl)s1)C1CCCC1 ZINC000053785264 357178244 /nfs/dbraw/zinc/17/82/44/357178244.db2.gz FRURSHNIDUGFHA-SNVBAGLBSA-N 0 0 230.760 3.495 10 0 BGAERN CCCC[C@H](O)c1cc(F)cc(F)c1 ZINC000053786303 357177944 /nfs/dbraw/zinc/17/79/44/357177944.db2.gz JRFDGCNGFBVCTI-NSHDSACASA-N 0 0 200.228 3.188 10 0 BGAERN CCCC[C@@H](O)c1cc(F)cc(F)c1 ZINC000053786304 357178534 /nfs/dbraw/zinc/17/85/34/357178534.db2.gz JRFDGCNGFBVCTI-LLVKDONJSA-N 0 0 200.228 3.188 10 0 BGAERN Cc1cccnc1[C@H](O)CCCc1ccccc1 ZINC000053786823 179399485 /nfs/dbraw/zinc/39/94/85/179399485.db2.gz DJBWDAYGPILNTM-OAHLLOKOSA-N 0 0 241.334 3.446 10 0 BGAERN Cc1cccnc1[C@@H](O)CCCc1ccccc1 ZINC000053786824 179398233 /nfs/dbraw/zinc/39/82/33/179398233.db2.gz DJBWDAYGPILNTM-HNNXBMFYSA-N 0 0 241.334 3.446 10 0 BGAERN CCCC[C@H](O)Cc1ccccc1Cl ZINC000053786835 357178604 /nfs/dbraw/zinc/17/86/04/357178604.db2.gz HFGFSRUMJPBVLG-NSHDSACASA-N 0 0 212.720 3.434 10 0 BGAERN CCCC[C@@H](O)Cc1ccccc1Cl ZINC000053786836 357178346 /nfs/dbraw/zinc/17/83/46/357178346.db2.gz HFGFSRUMJPBVLG-LLVKDONJSA-N 0 0 212.720 3.434 10 0 BGAERN CCCOC[C@H](O)Cc1cccc2ccccc21 ZINC000053786948 169310282 /nfs/dbraw/zinc/31/02/82/169310282.db2.gz HOEWBUSUQDCMDU-OAHLLOKOSA-N 0 0 244.334 3.170 10 0 BGAERN CCCOC[C@@H](O)Cc1cccc2ccccc21 ZINC000053786949 169309455 /nfs/dbraw/zinc/30/94/55/169309455.db2.gz HOEWBUSUQDCMDU-HNNXBMFYSA-N 0 0 244.334 3.170 10 0 BGAERN CCCOC[C@H](O)Cc1ccc(C(C)C)cc1 ZINC000053786982 169309869 /nfs/dbraw/zinc/30/98/69/169309869.db2.gz CUXFGFQUKIVDBX-OAHLLOKOSA-N 0 0 236.355 3.140 10 0 BGAERN CCCOC[C@@H](O)Cc1ccc(C(C)C)cc1 ZINC000053786983 169310072 /nfs/dbraw/zinc/31/00/72/169310072.db2.gz CUXFGFQUKIVDBX-HNNXBMFYSA-N 0 0 236.355 3.140 10 0 BGAERN COc1cccc(C[C@@H](O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000053787054 175271849 /nfs/dbraw/zinc/27/18/49/175271849.db2.gz IULWARPGOHPYAR-IVMMDQJWSA-N 0 0 248.366 3.425 10 0 BGAERN COc1cccc(C[C@@H](O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000053787056 175271398 /nfs/dbraw/zinc/27/13/98/175271398.db2.gz IULWARPGOHPYAR-XNRPHZJLSA-N 0 0 248.366 3.425 10 0 BGAERN O[C@@H](CCCc1ccccc1)Cc1ccncc1 ZINC000053787871 183172693 /nfs/dbraw/zinc/17/26/93/183172693.db2.gz LZJCAYGXCFQANV-INIZCTEOSA-N 0 0 241.334 3.008 10 0 BGAERN O[C@H](CCCc1ccccc1)Cc1ccncc1 ZINC000053787872 183219256 /nfs/dbraw/zinc/21/92/56/183219256.db2.gz LZJCAYGXCFQANV-MRXNPFEDSA-N 0 0 241.334 3.008 10 0 BGAERN Cc1cccc(N(C)C[C@@H]2CCCCC[C@@H]2O)c1 ZINC000053885893 179115056 /nfs/dbraw/zinc/11/50/56/179115056.db2.gz GXQLVDCTTLGTHP-HOCLYGCPSA-N 0 0 247.382 3.372 10 0 BGAERN Cc1cccc(N(C)C[C@H]2CCCCC[C@@H]2O)c1 ZINC000053885895 179115921 /nfs/dbraw/zinc/11/59/21/179115921.db2.gz GXQLVDCTTLGTHP-ZBFHGGJFSA-N 0 0 247.382 3.372 10 0 BGAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)C)cc1 ZINC000053909405 488173509 /nfs/dbraw/zinc/17/35/09/488173509.db2.gz JZWYPVVLNHWJAV-LLVKDONJSA-N 0 0 234.343 3.142 10 0 BGAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)C)cc1 ZINC000053909406 488173655 /nfs/dbraw/zinc/17/36/55/488173655.db2.gz JZWYPVVLNHWJAV-NSHDSACASA-N 0 0 234.343 3.142 10 0 BGAERN Cc1ccccc1N(C)C[C@@H]1CCCCC[C@@H]1O ZINC000053923293 179293955 /nfs/dbraw/zinc/29/39/55/179293955.db2.gz CRORZTCVSYBHPI-HOCLYGCPSA-N 0 0 247.382 3.372 10 0 BGAERN Cc1ccccc1N(C)C[C@H]1CCCCC[C@@H]1O ZINC000053923294 179295232 /nfs/dbraw/zinc/29/52/32/179295232.db2.gz CRORZTCVSYBHPI-ZBFHGGJFSA-N 0 0 247.382 3.372 10 0 BGAERN Cc1cc(C)cc(N(C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000053923450 177905496 /nfs/dbraw/zinc/90/54/96/177905496.db2.gz XWVBTQFOLOKPCF-ZBFHGGJFSA-N 0 0 247.382 3.291 10 0 BGAERN C[C@@H]1CCC(=O)[C@H](CN(C)c2ccccc2)C1 ZINC000053925074 176061904 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Cc1nc[nH]c1CNc1ccc(F)c(Cl)c1 ZINC000054794422 180121819 /nfs/dbraw/zinc/12/18/19/180121819.db2.gz XOKBEXXTCIDTRI-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1cccc(Cl)c1F ZINC000054794438 180121388 /nfs/dbraw/zinc/12/13/88/180121388.db2.gz WXPAYSWWSDGHOD-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1ccc(F)cc1Cl ZINC000054794466 180121203 /nfs/dbraw/zinc/12/12/03/180121203.db2.gz YKDRHYQCMUBUDG-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1cc(Cl)ccc1F ZINC000054794551 180121530 /nfs/dbraw/zinc/12/15/30/180121530.db2.gz AFUUTLSQMUIABL-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1ccc(Cl)cc1F ZINC000054795469 180122540 /nfs/dbraw/zinc/12/25/40/180122540.db2.gz ULNFQTGMHJONDL-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1ccc(Cl)c(F)c1 ZINC000054795595 180121276 /nfs/dbraw/zinc/12/12/76/180121276.db2.gz ZATSYHLQZNOYSM-UHFFFAOYSA-N 0 0 239.681 3.123 10 0 BGAERN Cc1nc[nH]c1CNc1ccccc1OC(C)C ZINC000054796088 180122330 /nfs/dbraw/zinc/12/23/30/180122330.db2.gz ZDLMFUAERYXCLE-UHFFFAOYSA-N 0 0 245.326 3.117 10 0 BGAERN CC(=O)c1cnc(N2CCc3ccccc32)s1 ZINC000054861389 187272443 /nfs/dbraw/zinc/27/24/43/187272443.db2.gz WFCPEJSWLWKBRV-UHFFFAOYSA-N 0 0 244.319 3.040 10 0 BGAERN CCN(c1ncc(C=O)s1)c1ccccc1C ZINC000054861671 169944730 /nfs/dbraw/zinc/94/47/30/169944730.db2.gz FHAOJJUJWQJSBK-UHFFFAOYSA-N 0 0 246.335 3.422 10 0 BGAERN Fc1ccccc1Oc1ccnc(Cl)n1 ZINC000054917666 345432986 /nfs/dbraw/zinc/43/29/86/345432986.db2.gz RGFXGEVGLZZNMH-UHFFFAOYSA-N 0 0 224.622 3.061 10 0 BGAERN Cc1ccc(Oc2ccnc(Cl)n2)cc1 ZINC000054917668 345432747 /nfs/dbraw/zinc/43/27/47/345432747.db2.gz GJJMIJRMEKRCCB-UHFFFAOYSA-N 0 0 220.659 3.231 10 0 BGAERN Fc1ccc(Sc2ccnc(Cl)n2)cc1 ZINC000054917727 345433789 /nfs/dbraw/zinc/43/37/89/345433789.db2.gz FXAOOWDSAMYINH-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN Cc1csc(Sc2ccnc(Cl)n2)n1 ZINC000054917739 345433627 /nfs/dbraw/zinc/43/36/27/345433627.db2.gz OCDPOOFJALKMFY-UHFFFAOYSA-N 0 0 243.744 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/nfs/dbraw/zinc/39/67/87/411396787.db2.gz QGWKQBXSXCNSHH-NWDGAFQWSA-N 0 0 233.355 3.472 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)[C@@H](C)CC)cc1 ZINC000055276074 411318415 /nfs/dbraw/zinc/31/84/15/411318415.db2.gz QGWKQBXSXCNSHH-RYUDHWBXSA-N 0 0 233.355 3.472 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)[C@H](C)CC)cc1 ZINC000055276075 411396927 /nfs/dbraw/zinc/39/69/27/411396927.db2.gz QGWKQBXSXCNSHH-VXGBXAGGSA-N 0 0 233.355 3.472 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)[C@H](C)CC)cc1 ZINC000055276076 411396847 /nfs/dbraw/zinc/39/68/47/411396847.db2.gz QGWKQBXSXCNSHH-NEPJUHHUSA-N 0 0 233.355 3.472 10 0 BGAERN CC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000055276235 363589582 /nfs/dbraw/zinc/58/95/82/363589582.db2.gz BAAXDXDTXQLHKL-PWSUYJOCSA-N 0 0 219.328 3.218 10 0 BGAERN CC[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000055276236 343667329 /nfs/dbraw/zinc/66/73/29/343667329.db2.gz BAAXDXDTXQLHKL-JQWIXIFHSA-N 0 0 219.328 3.218 10 0 BGAERN Cc1nc(CC(=O)C2CCCCC2)cs1 ZINC000055294287 369172179 /nfs/dbraw/zinc/17/21/79/369172179.db2.gz OTRJSUVLPRKBDA-UHFFFAOYSA-N 0 0 223.341 3.143 10 0 BGAERN Cc1nc(CC(=O)Cc2ccc(C)cc2)cs1 ZINC000055294295 188126816 /nfs/dbraw/zinc/12/68/16/188126816.db2.gz UUPSUZVYGQXYAX-UHFFFAOYSA-N 0 0 245.347 3.114 10 0 BGAERN CCC(=O)Cn1cc(Cl)c2ccccc21 ZINC000055310421 369190655 /nfs/dbraw/zinc/19/06/55/369190655.db2.gz LXVNXVMTPFMVLF-UHFFFAOYSA-N 0 0 221.687 3.274 10 0 BGAERN Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)n1 ZINC000055330967 178337600 /nfs/dbraw/zinc/33/76/00/178337600.db2.gz JTSYEQSVJKPYKZ-UHFFFAOYSA-N 0 0 239.278 3.089 10 0 BGAERN Cc1cccc(-c2c(N)n(C)nc2CC(C)C)c1 ZINC000055332121 178992796 /nfs/dbraw/zinc/99/27/96/178992796.db2.gz HVMMNVXZAMLLKP-UHFFFAOYSA-N 0 0 243.354 3.176 10 0 BGAERN Cc1ccc(-c2c(N)n[nH]c2C2CCC2)cc1 ZINC000055332669 643679615 /nfs/dbraw/zinc/67/96/15/643679615.db2.gz CADKSBMEZXYSMG-UHFFFAOYSA-N 0 0 227.311 3.235 10 0 BGAERN Cc1ccc(-c2c(N)n(C)nc2C(C)(C)C)cc1 ZINC000055332745 178315518 /nfs/dbraw/zinc/31/55/18/178315518.db2.gz JNVBAYFGEALTKV-UHFFFAOYSA-N 0 0 243.354 3.275 10 0 BGAERN CCCCc1nn(C)c(N)c1-c1ccc(C)cc1 ZINC000055332778 169027816 /nfs/dbraw/zinc/02/78/16/169027816.db2.gz VQIFCFAEHYHQOR-UHFFFAOYSA-N 0 0 243.354 3.320 10 0 BGAERN Cc1ccc(-c2c(N)n(C)nc2C2CCC2)cc1 ZINC000055332791 178318034 /nfs/dbraw/zinc/31/80/34/178318034.db2.gz DEQLBCWMGCTXTA-UHFFFAOYSA-N 0 0 241.338 3.245 10 0 BGAERN Cc1ccc(-c2c(N)onc2-c2ccco2)cc1 ZINC000055332859 178316936 /nfs/dbraw/zinc/31/69/36/178316936.db2.gz QZGFQLLDVNZYBF-UHFFFAOYSA-N 0 0 240.262 3.492 10 0 BGAERN Cc1ccc([C@@H](O)[C@@H](C)Oc2ccccc2)cc1 ZINC000055352063 178867531 /nfs/dbraw/zinc/86/75/31/178867531.db2.gz DBCOUFKHHFCLHK-CJNGLKHVSA-N 0 0 242.318 3.496 10 0 BGAERN Cc1ccc([C@@H](O)COc2ccccc2)c(C)c1 ZINC000055352087 178868152 /nfs/dbraw/zinc/86/81/52/178868152.db2.gz MOFJEWNYSSJPNR-INIZCTEOSA-N 0 0 242.318 3.416 10 0 BGAERN CCc1ccc([C@@H](O)COc2ccccc2)cc1 ZINC000055352175 188483949 /nfs/dbraw/zinc/48/39/49/188483949.db2.gz CBZFJMITGXUJFY-INIZCTEOSA-N 0 0 242.318 3.361 10 0 BGAERN N[C@H](c1nc2ccccc2s1)c1ccccc1 ZINC000055359189 398286327 /nfs/dbraw/zinc/28/63/27/398286327.db2.gz LCUXOKKXLIBQKQ-ZDUSSCGKSA-N 0 0 240.331 3.344 10 0 BGAERN N[C@@H](c1nc2ccccc2s1)c1ccccc1 ZINC000055359194 398286203 /nfs/dbraw/zinc/28/62/03/398286203.db2.gz LCUXOKKXLIBQKQ-CYBMUJFWSA-N 0 0 240.331 3.344 10 0 BGAERN FC(F)(F)c1ccc(NC2CC2)cc1 ZINC000055372935 349092926 /nfs/dbraw/zinc/09/29/26/349092926.db2.gz MZNGZJQCLPOSJV-UHFFFAOYSA-N 0 0 201.191 3.280 10 0 BGAERN Cc1nc2ccccc2nc1N[C@@H](C)C(C)C ZINC000055373313 180105527 /nfs/dbraw/zinc/10/55/27/180105527.db2.gz LNDWJXWFKXJIFY-JTQLQIEISA-N 0 0 229.327 3.395 10 0 BGAERN Cc1nc2ccccc2nc1N[C@H](C)C(C)C ZINC000055373317 180105658 /nfs/dbraw/zinc/10/56/58/180105658.db2.gz LNDWJXWFKXJIFY-SNVBAGLBSA-N 0 0 229.327 3.395 10 0 BGAERN Cc1ccc(C(=O)N(C)[C@@H](C)CC(C)C)c(O)c1 ZINC000055482311 178380012 /nfs/dbraw/zinc/38/00/12/178380012.db2.gz RZQPWMNHXQADMT-LBPRGKRZSA-N 0 0 249.354 3.207 10 0 BGAERN Cc1ccc(C(=O)N(C)[C@H](C)CC(C)C)c(O)c1 ZINC000055482313 178380748 /nfs/dbraw/zinc/38/07/48/178380748.db2.gz RZQPWMNHXQADMT-GFCCVEGCSA-N 0 0 249.354 3.207 10 0 BGAERN Cc1cccc(C(=O)N(C)[C@@H](C)CC(C)C)c1O ZINC000055482320 179004898 /nfs/dbraw/zinc/00/48/98/179004898.db2.gz SEEBVVNELHHXIT-LBPRGKRZSA-N 0 0 249.354 3.207 10 0 BGAERN Cc1cccc(C(=O)N(C)[C@H](C)CC(C)C)c1O ZINC000055482323 179005702 /nfs/dbraw/zinc/00/57/02/179005702.db2.gz SEEBVVNELHHXIT-GFCCVEGCSA-N 0 0 249.354 3.207 10 0 BGAERN CC(C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000055743273 384893047 /nfs/dbraw/zinc/89/30/47/384893047.db2.gz RKLKSTSZTBBVHC-QMMMGPOBSA-N 0 0 243.709 3.312 10 0 BGAERN CC(C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000055743275 384892889 /nfs/dbraw/zinc/89/28/89/384892889.db2.gz RKLKSTSZTBBVHC-MRVPVSSYSA-N 0 0 243.709 3.312 10 0 BGAERN C[C@H](NC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000056330019 640531490 /nfs/dbraw/zinc/53/14/90/640531490.db2.gz JIXHXWKJKOOPKV-NSHDSACASA-N 0 0 248.370 3.316 10 0 BGAERN C[C@@H](NC(=O)N(C)C)c1ccc(C(C)(C)C)cc1 ZINC000056330020 640530760 /nfs/dbraw/zinc/53/07/60/640530760.db2.gz JIXHXWKJKOOPKV-LLVKDONJSA-N 0 0 248.370 3.316 10 0 BGAERN Cc1cccc([C@H](C)c2ncc[nH]2)c1C ZINC000056898872 384920497 /nfs/dbraw/zinc/92/04/97/384920497.db2.gz FXJRDUKXWHFPND-NSHDSACASA-N 0 0 200.285 3.178 10 0 in-man BGAERN CC(C)[C@@H](C)NC(=O)CCC1CCCC1 ZINC000057159817 167370513 /nfs/dbraw/zinc/37/05/13/167370513.db2.gz NMTUHOWRSNRWOP-LLVKDONJSA-N 0 0 211.349 3.118 10 0 BGAERN CC(C)[C@H](C)NC(=O)CCC1CCCC1 ZINC000057159818 192088291 /nfs/dbraw/zinc/08/82/91/192088291.db2.gz NMTUHOWRSNRWOP-NSHDSACASA-N 0 0 211.349 3.118 10 0 BGAERN Cc1cc(C)cc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000057159833 387834132 /nfs/dbraw/zinc/83/41/32/387834132.db2.gz ICJXSPYUIMDLNW-LBPRGKRZSA-N 0 0 219.328 3.078 10 0 BGAERN Cc1cc(C)cc(C(=O)N[C@H](C)C(C)C)c1 ZINC000057159834 387835140 /nfs/dbraw/zinc/83/51/40/387835140.db2.gz ICJXSPYUIMDLNW-GFCCVEGCSA-N 0 0 219.328 3.078 10 0 BGAERN CCc1ccc(C(=O)N[C@@H](C)C(C)C)cc1 ZINC000057159837 359654696 /nfs/dbraw/zinc/65/46/96/359654696.db2.gz ZLFQWVXYQSOTEA-NSHDSACASA-N 0 0 219.328 3.023 10 0 BGAERN CCc1ccc(C(=O)N[C@H](C)C(C)C)cc1 ZINC000057159838 359654247 /nfs/dbraw/zinc/65/42/47/359654247.db2.gz ZLFQWVXYQSOTEA-LLVKDONJSA-N 0 0 219.328 3.023 10 0 BGAERN CC(C)[C@@H](C)NC(=O)c1ccc(F)cc1Cl ZINC000057160000 368484414 /nfs/dbraw/zinc/48/44/14/368484414.db2.gz IOSRFAOOJUUFQM-MRVPVSSYSA-N 0 0 243.709 3.253 10 0 BGAERN CC(C)[C@H](C)NC(=O)c1ccc(F)cc1Cl ZINC000057160001 368483907 /nfs/dbraw/zinc/48/39/07/368483907.db2.gz IOSRFAOOJUUFQM-QMMMGPOBSA-N 0 0 243.709 3.253 10 0 BGAERN CC(C)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000057160108 167371272 /nfs/dbraw/zinc/37/12/72/167371272.db2.gz CNBLCCDAUZFVRT-LLVKDONJSA-N 0 0 211.349 3.118 10 0 BGAERN CC(C)[C@H](C)NC(=O)CC1CCCCC1 ZINC000057160109 388112405 /nfs/dbraw/zinc/11/24/05/388112405.db2.gz CNBLCCDAUZFVRT-NSHDSACASA-N 0 0 211.349 3.118 10 0 BGAERN C/C(=C/C(=O)N[C@H](C)c1ccc(C)o1)C1CC1 ZINC000057324240 640598977 /nfs/dbraw/zinc/59/89/77/640598977.db2.gz QBOHQLITUAZLBM-TYBABMIJSA-N 0 0 233.311 3.122 10 0 BGAERN C/C(=C/C(=O)N[C@@H](C)c1ccc(C)o1)C1CC1 ZINC000057324242 640599570 /nfs/dbraw/zinc/59/95/70/640599570.db2.gz QBOHQLITUAZLBM-IQQGHNRFSA-N 0 0 233.311 3.122 10 0 BGAERN Cc1cc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000057331028 178071495 /nfs/dbraw/zinc/07/14/95/178071495.db2.gz CXHCGGMBRRJQOZ-UHFFFAOYSA-N 0 0 237.665 3.321 10 0 BGAERN Clc1nc(Nc2ccccc2)nc2c1CCC2 ZINC000057331091 192088204 /nfs/dbraw/zinc/08/82/04/192088204.db2.gz QVQGXPACNQXJNB-UHFFFAOYSA-N 0 0 245.713 3.362 10 0 BGAERN Cc1nc(Nc2ccccc2)nc(Cl)c1C ZINC000057331104 187570513 /nfs/dbraw/zinc/57/05/13/187570513.db2.gz CQYQGJNDLZTQOF-UHFFFAOYSA-N 0 0 233.702 3.490 10 0 BGAERN Cc1ccc(Nc2nccc(Cl)n2)cc1 ZINC000057331115 369392703 /nfs/dbraw/zinc/39/27/03/369392703.db2.gz FVODZVFCLQOBCF-UHFFFAOYSA-N 0 0 219.675 3.182 10 0 BGAERN Cc1cc(Cl)nc(N(C)Cc2ccccc2)n1 ZINC000057331157 178071106 /nfs/dbraw/zinc/07/11/06/178071106.db2.gz 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COC(=O)CC(C)(C)c1c[nH]c2ccccc21 ZINC000057348882 522920879 /nfs/dbraw/zinc/92/08/79/522920879.db2.gz CSCKIEWOTRELCJ-UHFFFAOYSA-N 0 0 231.295 3.009 10 0 BGAERN CCCc1noc(N[C@@H](C)c2ccccc2)n1 ZINC000057353948 521593344 /nfs/dbraw/zinc/59/33/44/521593344.db2.gz MFIKRMBBAZAGBF-JTQLQIEISA-N 0 0 231.299 3.195 10 0 BGAERN CCCc1noc(N[C@H](C)c2ccccc2)n1 ZINC000057353949 521592588 /nfs/dbraw/zinc/59/25/88/521592588.db2.gz MFIKRMBBAZAGBF-SNVBAGLBSA-N 0 0 231.299 3.195 10 0 BGAERN CC[C@@H](C)Nc1nc(-c2cccc(C)c2)no1 ZINC000057354065 522235820 /nfs/dbraw/zinc/23/58/20/522235820.db2.gz LNEQEKAQIVIFED-SNVBAGLBSA-N 0 0 231.299 3.255 10 0 BGAERN CC[C@H](C)Nc1nc(-c2cccc(C)c2)no1 ZINC000057354066 524006776 /nfs/dbraw/zinc/00/67/76/524006776.db2.gz LNEQEKAQIVIFED-JTQLQIEISA-N 0 0 231.299 3.255 10 0 BGAERN Cc1cccc(-c2noc(NC3CCCC3)n2)c1 ZINC000057354087 524134002 /nfs/dbraw/zinc/13/40/02/524134002.db2.gz WYLDAZKAJFRIDN-UHFFFAOYSA-N 0 0 243.310 3.400 10 0 BGAERN CC[C@@H](C)Nc1nc(-c2ccccc2C)no1 ZINC000057354100 522236306 /nfs/dbraw/zinc/23/63/06/522236306.db2.gz PJMCJVLCKILOFI-SNVBAGLBSA-N 0 0 231.299 3.255 10 0 BGAERN CC[C@H](C)Nc1nc(-c2ccccc2C)no1 ZINC000057354101 524006738 /nfs/dbraw/zinc/00/67/38/524006738.db2.gz PJMCJVLCKILOFI-JTQLQIEISA-N 0 0 231.299 3.255 10 0 BGAERN Cc1ccccc1-c1noc(NC2CCCC2)n1 ZINC000057354122 525020043 /nfs/dbraw/zinc/02/00/43/525020043.db2.gz QCHFYZCLZOJBTL-UHFFFAOYSA-N 0 0 243.310 3.400 10 0 BGAERN Clc1cncc2c(Br)ccnc12 ZINC000057354303 526999666 /nfs/dbraw/zinc/99/96/66/526999666.db2.gz LGTYQSHBGWLEFU-UHFFFAOYSA-N 0 0 243.491 3.046 10 0 BGAERN CCOC(OCC)c1cc2ccccc2cn1 ZINC000057354353 170317240 /nfs/dbraw/zinc/31/72/40/170317240.db2.gz AEYHQGISVDDTNY-UHFFFAOYSA-N 0 0 231.295 3.306 10 0 BGAERN Cc1nc2ccccc2n1C(F)=C(F)F ZINC000057354520 527162175 /nfs/dbraw/zinc/16/21/75/527162175.db2.gz BACICLKGMGDRDP-UHFFFAOYSA-N 0 0 212.174 3.337 10 0 BGAERN CC(C)Nc1nc(-c2ccco2)cs1 ZINC000057382347 167148716 /nfs/dbraw/zinc/14/87/16/167148716.db2.gz MRVYBGMXRZHYNB-UHFFFAOYSA-N 0 0 208.286 3.223 10 0 BGAERN CCCNc1nc(-c2ccco2)cs1 ZINC000057382506 169296027 /nfs/dbraw/zinc/29/60/27/169296027.db2.gz BRPDYIPNEPDGOU-UHFFFAOYSA-N 0 0 208.286 3.225 10 0 BGAERN CC(C)CNc1nc2c(s1)CCCC2 ZINC000057382528 167018412 /nfs/dbraw/zinc/01/84/12/167018412.db2.gz FUUQPYAQFQHKJZ-UHFFFAOYSA-N 0 0 210.346 3.090 10 0 BGAERN CC(C)CNc1nc(-c2ccco2)cs1 ZINC000057382537 167019561 /nfs/dbraw/zinc/01/95/61/167019561.db2.gz CRHGPXHUJPZDLA-UHFFFAOYSA-N 0 0 222.313 3.471 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)N(C)CC1CC1 ZINC000057394830 369393997 /nfs/dbraw/zinc/39/39/97/369393997.db2.gz VPIQDMXRPLPFBB-LBPRGKRZSA-N 0 0 246.354 3.107 10 0 BGAERN CCCCS[C@@H](C)C(=O)N[C@@H](C)C(C)C ZINC000057411821 343335422 /nfs/dbraw/zinc/33/54/22/343335422.db2.gz ADSGBPOYPYFIDF-QWRGUYRKSA-N 0 0 231.405 3.069 10 0 BGAERN CCCCS[C@H](C)C(=O)N[C@@H](C)C(C)C ZINC000057411827 369396126 /nfs/dbraw/zinc/39/61/26/369396126.db2.gz ADSGBPOYPYFIDF-WDEREUQCSA-N 0 0 231.405 3.069 10 0 BGAERN CCCCS[C@@H](C)C(=O)N[C@H](C)C(C)C ZINC000057411830 369395155 /nfs/dbraw/zinc/39/51/55/369395155.db2.gz ADSGBPOYPYFIDF-MNOVXSKESA-N 0 0 231.405 3.069 10 0 BGAERN CCCCS[C@H](C)C(=O)N[C@H](C)C(C)C ZINC000057411835 369395701 /nfs/dbraw/zinc/39/57/01/369395701.db2.gz ADSGBPOYPYFIDF-GHMZBOCLSA-N 0 0 231.405 3.069 10 0 BGAERN CCN(c1ccc(N)cc1Cl)C(C)C ZINC000057418544 343918775 /nfs/dbraw/zinc/91/87/75/343918775.db2.gz LAYVSBMPORZWGS-UHFFFAOYSA-N 0 0 212.724 3.157 10 0 BGAERN CCCNc1nc2ccc(OC)cc2s1 ZINC000057461029 169296925 /nfs/dbraw/zinc/29/69/25/169296925.db2.gz SJFDQCKIHHTJEY-UHFFFAOYSA-N 0 0 222.313 3.127 10 0 BGAERN C[C@@H]1CCCN(c2ccc(N)c3ncccc23)C1 ZINC000057463228 132365907 /nfs/dbraw/zinc/36/59/07/132365907.db2.gz FSTYELPYWYCFOV-LLVKDONJSA-N 0 0 241.338 3.053 10 0 BGAERN C[C@H]1CCCN(c2ccc(N)c3ncccc23)C1 ZINC000057463230 132365901 /nfs/dbraw/zinc/36/59/01/132365901.db2.gz FSTYELPYWYCFOV-NSHDSACASA-N 0 0 241.338 3.053 10 0 BGAERN C[C@@H]1CCCN(c2ccc(N)c3cccnc32)C1 ZINC000057463326 132365809 /nfs/dbraw/zinc/36/58/09/132365809.db2.gz CGGRWXSLNCEMRU-LLVKDONJSA-N 0 0 241.338 3.053 10 0 BGAERN C[C@H]1CCCN(c2ccc(N)c3cccnc32)C1 ZINC000057463327 132365796 /nfs/dbraw/zinc/36/57/96/132365796.db2.gz CGGRWXSLNCEMRU-NSHDSACASA-N 0 0 241.338 3.053 10 0 BGAERN CCCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000057464734 368493563 /nfs/dbraw/zinc/49/35/63/368493563.db2.gz HHRQRBWUCVPRQD-NSHDSACASA-N 0 0 223.316 3.346 10 0 BGAERN CCCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000057464735 368493538 /nfs/dbraw/zinc/49/35/38/368493538.db2.gz HHRQRBWUCVPRQD-LLVKDONJSA-N 0 0 223.316 3.346 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)CC(C)(C)C)o1 ZINC000057464748 368493696 /nfs/dbraw/zinc/49/36/96/368493696.db2.gz IWABQPWRIGGTKM-SNVBAGLBSA-N 0 0 223.316 3.201 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)CC(C)(C)C)o1 ZINC000057464750 368493637 /nfs/dbraw/zinc/49/36/37/368493637.db2.gz IWABQPWRIGGTKM-JTQLQIEISA-N 0 0 223.316 3.201 10 0 BGAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000057465059 343687830 /nfs/dbraw/zinc/68/78/30/343687830.db2.gz GIIKTWICVJKNRE-KOLCDFICSA-N 0 0 223.316 3.201 10 0 BGAERN CCC[C@H](C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000057465061 343687871 /nfs/dbraw/zinc/68/78/71/343687871.db2.gz GIIKTWICVJKNRE-ONGXEEELSA-N 0 0 223.316 3.201 10 0 BGAERN CCC[C@@H](C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000057465063 368494040 /nfs/dbraw/zinc/49/40/40/368494040.db2.gz GIIKTWICVJKNRE-MWLCHTKSSA-N 0 0 223.316 3.201 10 0 BGAERN CCC[C@H](C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000057465065 368493366 /nfs/dbraw/zinc/49/33/66/368493366.db2.gz GIIKTWICVJKNRE-GXSJLCMTSA-N 0 0 223.316 3.201 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)CCC(C)C)o1 ZINC000057466154 368493824 /nfs/dbraw/zinc/49/38/24/368493824.db2.gz PCQXTUQUUAPUHK-LLVKDONJSA-N 0 0 223.316 3.201 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)CCC(C)C)o1 ZINC000057466157 343687917 /nfs/dbraw/zinc/68/79/17/343687917.db2.gz PCQXTUQUUAPUHK-NSHDSACASA-N 0 0 223.316 3.201 10 0 BGAERN c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000057490988 410173550 /nfs/dbraw/zinc/17/35/50/410173550.db2.gz MHCRKJSTDMYHGN-UHFFFAOYSA-N 0 0 201.294 3.299 10 0 BGAERN Cc1nc(-c2cccc(N)c2)c(C)s1 ZINC000057492589 179866142 /nfs/dbraw/zinc/86/61/42/179866142.db2.gz LPJWFRYVXKBAIW-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CC(C)c1ccc([C@@H]2CC[C@H](O)C2)cc1 ZINC000057492593 167615371 /nfs/dbraw/zinc/61/53/71/167615371.db2.gz VPVNVRYBYCHGPH-KGLIPLIRSA-N 0 0 204.313 3.438 10 0 BGAERN CC(C)c1ccc([C@H]2CC[C@H](O)C2)cc1 ZINC000057492598 167621158 /nfs/dbraw/zinc/62/11/58/167621158.db2.gz VPVNVRYBYCHGPH-KBPBESRZSA-N 0 0 204.313 3.438 10 0 BGAERN CC(C)c1ccc([C@H]2CC[C@@H](O)C2)cc1 ZINC000057492608 167620064 /nfs/dbraw/zinc/62/00/64/167620064.db2.gz VPVNVRYBYCHGPH-UONOGXRCSA-N 0 0 204.313 3.438 10 0 BGAERN COc1ccccc1-c1scnc1C ZINC000057493182 175312479 /nfs/dbraw/zinc/31/24/79/175312479.db2.gz PIPAGCFETQZJBQ-UHFFFAOYSA-N 0 0 205.282 3.127 10 0 BGAERN COc1cccc(-c2scnc2C)c1 ZINC000057493184 175238725 /nfs/dbraw/zinc/23/87/25/175238725.db2.gz 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173485595 /nfs/dbraw/zinc/48/55/95/173485595.db2.gz IEWFEEWCTLPHBY-UHFFFAOYSA-N 0 0 222.288 3.299 10 0 BGAERN Cc1ccsc1-c1sc(N)nc1C ZINC000058003833 179534303 /nfs/dbraw/zinc/53/43/03/179534303.db2.gz FGZJKFVTRSHCNM-UHFFFAOYSA-N 0 0 210.327 3.071 10 0 BGAERN CC1=NC(=S)SC1c1cccs1 ZINC000058003977 180029486 /nfs/dbraw/zinc/02/94/86/180029486.db2.gz KTULYJCRYAQVAD-UHFFFAOYSA-N 0 0 213.352 3.469 10 0 BGAERN CCSc1ccc(C(=O)C2CC2)cc1 ZINC000058017137 388371261 /nfs/dbraw/zinc/37/12/61/388371261.db2.gz AQJKBBGFKBACIN-UHFFFAOYSA-N 0 0 206.310 3.391 10 0 BGAERN Fc1ccccc1-c1nc2c(c(Cl)n1)CCC2 ZINC000058043850 181008978 /nfs/dbraw/zinc/00/89/78/181008978.db2.gz QIDFXAVGFKNUBZ-UHFFFAOYSA-N 0 0 248.688 3.425 10 0 BGAERN CCSCc1nc(Cl)cc(Cl)n1 ZINC000058049182 170645924 /nfs/dbraw/zinc/64/59/24/170645924.db2.gz MALDLDPDVGPSFI-UHFFFAOYSA-N 0 0 223.128 3.037 10 0 BGAERN CCCC[C@H](O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000058089449 169012765 /nfs/dbraw/zinc/01/27/65/169012765.db2.gz MJYYGSBEGLIXEC-ZDUSSCGKSA-N 0 0 247.338 3.140 10 0 BGAERN CC[C@H]1Oc2ccc(C(C)(C)C)cc2NC1=O ZINC000058235263 171684287 /nfs/dbraw/zinc/68/42/87/171684287.db2.gz FDPWUEFCJZJZHI-LLVKDONJSA-N 0 0 233.311 3.094 10 0 BGAERN CC[C@@H]1Oc2ccc(C(C)(C)C)cc2NC1=O ZINC000058235265 171152665 /nfs/dbraw/zinc/15/26/65/171152665.db2.gz FDPWUEFCJZJZHI-NSHDSACASA-N 0 0 233.311 3.094 10 0 BGAERN O[C@H](CSC1CCCC1)c1ccccc1 ZINC000058443038 640708768 /nfs/dbraw/zinc/70/87/68/640708768.db2.gz UUXVYINBJJOMQP-CYBMUJFWSA-N 0 0 222.353 3.396 10 0 BGAERN O[C@@H](CSC1CCCC1)c1ccccc1 ZINC000058443039 640708884 /nfs/dbraw/zinc/70/88/84/640708884.db2.gz UUXVYINBJJOMQP-ZDUSSCGKSA-N 0 0 222.353 3.396 10 0 BGAERN Cc1ccc2c(c1)CN(CC(C)C)C(=S)N2 ZINC000058502287 187668039 /nfs/dbraw/zinc/66/80/39/187668039.db2.gz WUAKTTCGVDDINN-UHFFFAOYSA-N 0 0 234.368 3.163 10 0 BGAERN Cc1ccc2c(c1)CN(CCC(C)C)C(=O)N2 ZINC000058602703 187612710 /nfs/dbraw/zinc/61/27/10/187612710.db2.gz GZYQIBTZSXKVQM-UHFFFAOYSA-N 0 0 232.327 3.389 10 0 BGAERN CCCCNC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000058618989 411233219 /nfs/dbraw/zinc/23/32/19/411233219.db2.gz LCDCKTZROVYQCK-GFCCVEGCSA-N 0 0 248.370 3.409 10 0 BGAERN CCS[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000058685300 372083671 /nfs/dbraw/zinc/08/36/71/372083671.db2.gz LTODVCHPDUAQBW-WDEREUQCSA-N 0 0 237.368 3.005 10 0 BGAERN CC(C)(C)CCN1CCCc2cc(N)ccc21 ZINC000058778469 132368455 /nfs/dbraw/zinc/36/84/55/132368455.db2.gz DSTFEXAQGZDXJP-UHFFFAOYSA-N 0 0 232.371 3.458 10 0 BGAERN CC(C)Nc1ccccc1C(=O)NC1CCCC1 ZINC000058798905 167146746 /nfs/dbraw/zinc/14/67/46/167146746.db2.gz FOIXGSCZGSERBN-UHFFFAOYSA-N 0 0 246.354 3.179 10 0 BGAERN C[C@H](O)c1ccc(OCc2ccccc2)c(F)c1 ZINC000058823232 177017427 /nfs/dbraw/zinc/01/74/27/177017427.db2.gz BLRPFFIKRXXQGC-NSHDSACASA-N 0 0 246.281 3.458 10 0 BGAERN C[C@@H](O)c1ccc(OCc2ccccc2)c(F)c1 ZINC000058823239 385024717 /nfs/dbraw/zinc/02/47/17/385024717.db2.gz BLRPFFIKRXXQGC-LLVKDONJSA-N 0 0 246.281 3.458 10 0 BGAERN Cc1c[nH]c(CSc2ccccc2)c(C)c1=O ZINC000058823378 177641769 /nfs/dbraw/zinc/64/17/69/177641769.db2.gz LRVQZALAHAJLST-UHFFFAOYSA-N 0 0 245.347 3.284 10 0 BGAERN COC(=O)c1cc2c([nH]1)c(Cl)ccc2Cl ZINC000058823759 385023548 /nfs/dbraw/zinc/02/35/48/385023548.db2.gz YELCQQQKEWUTQL-UHFFFAOYSA-N 0 0 244.077 3.261 10 0 BGAERN COC(=O)c1cc2cc(C(C)C)ccc2n1C ZINC000058823812 385025026 /nfs/dbraw/zinc/02/50/26/385025026.db2.gz SMFHQUZJWPKFIB-UHFFFAOYSA-N 0 0 231.295 3.088 10 0 BGAERN O=Cc1c[nH]c2c1c(Cl)ccc2Cl ZINC000058823841 182860573 /nfs/dbraw/zinc/86/05/73/182860573.db2.gz XOCDSOQRSTWNJN-UHFFFAOYSA-N 0 0 214.051 3.287 10 0 BGAERN O=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000058823845 385025519 /nfs/dbraw/zinc/02/55/19/385025519.db2.gz HAZSSFNTBOHWSZ-UHFFFAOYSA-N 0 0 214.051 3.287 10 0 BGAERN Cn1cc(C=O)c2cc(Cl)cc(Cl)c21 ZINC000058823914 385026362 /nfs/dbraw/zinc/02/63/62/385026362.db2.gz PQJBCTMLIMEABA-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN Cn1cc(C=O)c2c1c(Cl)ccc2Cl ZINC000058823916 385025802 /nfs/dbraw/zinc/02/58/02/385025802.db2.gz ARRPWKFXTFKRBD-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN Cn1cc(C=O)c2c1cc(Cl)cc2Cl ZINC000058823921 385023530 /nfs/dbraw/zinc/02/35/30/385023530.db2.gz CANSWWBDBVFNSY-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN CC(C)c1ccc2c(c1)c(C=O)cn2C ZINC000058823930 167628159 /nfs/dbraw/zinc/62/81/59/167628159.db2.gz LQIHQLNFBCNWDT-UHFFFAOYSA-N 0 0 201.269 3.114 10 0 BGAERN COc1ccc(C=O)cc1Oc1ccccc1 ZINC000058824939 175086681 /nfs/dbraw/zinc/08/66/81/175086681.db2.gz WHQBHHJNVZGNBT-UHFFFAOYSA-N 0 0 228.247 3.300 10 0 BGAERN CCNc1nccc(Sc2ccccc2)n1 ZINC000058825515 170178245 /nfs/dbraw/zinc/17/82/45/170178245.db2.gz UFOXIMFDDZTVIZ-UHFFFAOYSA-N 0 0 231.324 3.060 10 0 BGAERN CCNc1nccc(Sc2ccc(C)cc2)n1 ZINC000058825520 170178307 /nfs/dbraw/zinc/17/83/07/170178307.db2.gz HIZGBNRETKWKCR-UHFFFAOYSA-N 0 0 245.351 3.368 10 0 BGAERN c1ccc(Sc2ccnc(NC3CC3)n2)cc1 ZINC000058825547 183422894 /nfs/dbraw/zinc/42/28/94/183422894.db2.gz KMWMDMHFNHJTSK-UHFFFAOYSA-N 0 0 243.335 3.202 10 0 BGAERN CNc1nc(C)cc(Sc2ccc(C)cc2)n1 ZINC000058825781 173486903 /nfs/dbraw/zinc/48/69/03/173486903.db2.gz VZPOMKQZTUQIMA-UHFFFAOYSA-N 0 0 245.351 3.286 10 0 BGAERN CCNc1nc(C)cc(Oc2ccccc2)n1 ZINC000058825800 170176311 /nfs/dbraw/zinc/17/63/11/170176311.db2.gz VRHRTZZQPKFHGQ-UHFFFAOYSA-N 0 0 229.283 3.009 10 0 BGAERN CCNc1nc(C)cc(Sc2ccccc2)n1 ZINC000058825804 170175885 /nfs/dbraw/zinc/17/58/85/170175885.db2.gz DBMWAGPNAIVYHJ-UHFFFAOYSA-N 0 0 245.351 3.368 10 0 BGAERN Cc1cc(Oc2ccccc2)nc(NC2CC2)n1 ZINC000058825834 178215750 /nfs/dbraw/zinc/21/57/50/178215750.db2.gz CIJOAPCFVBXCFA-UHFFFAOYSA-N 0 0 241.294 3.152 10 0 BGAERN CC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000058826094 166461895 /nfs/dbraw/zinc/46/18/95/166461895.db2.gz NFUZJISZGZQYQL-UHFFFAOYSA-N 0 0 223.703 3.143 10 0 BGAERN C[C@H](O)c1ccc(Sc2ccccn2)c(F)c1 ZINC000058826327 177017349 /nfs/dbraw/zinc/01/73/49/177017349.db2.gz PWFPRJCIFSUKNH-VIFPVBQESA-N 0 0 249.310 3.425 10 0 BGAERN C[C@@H](O)c1ccc(Sc2ccccn2)c(F)c1 ZINC000058826331 385028444 /nfs/dbraw/zinc/02/84/44/385028444.db2.gz PWFPRJCIFSUKNH-SECBINFHSA-N 0 0 249.310 3.425 10 0 BGAERN Cc1ccc2c(c1)c1c(n2C)CCCC1=O ZINC000058827300 385027290 /nfs/dbraw/zinc/02/72/90/385027290.db2.gz ZBSINGINDVMZAE-UHFFFAOYSA-N 0 0 213.280 3.006 10 0 BGAERN Cn1c2ccc(Cl)cc2c2c1CCCC2=O ZINC000058827311 385027882 /nfs/dbraw/zinc/02/78/82/385027882.db2.gz JVZDYDNFJJNKEC-UHFFFAOYSA-N 0 0 233.698 3.351 10 0 BGAERN Cc1cc(N)ccc1N(Cc1ccco1)C1CC1 ZINC000059013667 178104973 /nfs/dbraw/zinc/10/49/73/178104973.db2.gz OAOVVWSWDVQLHT-UHFFFAOYSA-N 0 0 242.322 3.339 10 0 BGAERN Cc1cc(N(Cc2ccco2)C2CC2)ccc1N ZINC000059013668 178102339 /nfs/dbraw/zinc/10/23/39/178102339.db2.gz QEBINZLOZFJYKH-UHFFFAOYSA-N 0 0 242.322 3.339 10 0 BGAERN O=c1c2ccc(Cl)cc2oc2ccc(O)cc12 ZINC000059047954 343704290 /nfs/dbraw/zinc/70/42/90/343704290.db2.gz MDAJUFDMGJKYKY-UHFFFAOYSA-N 0 0 246.649 3.305 10 0 BGAERN CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC2=O ZINC000059063004 385040653 /nfs/dbraw/zinc/04/06/53/385040653.db2.gz NLSKWRYIEWXZBE-UHFFFAOYSA-N 0 0 247.294 3.163 10 0 BGAERN Nc1ccc2cccc(Br)c2c1 ZINC000059075724 353424940 /nfs/dbraw/zinc/42/49/40/353424940.db2.gz SHVBBMYZTBAZRI-UHFFFAOYSA-N 0 0 222.085 3.185 10 0 BGAERN O=C1CCCC[C@H]1c1cc(F)c(F)c(F)c1 ZINC000059078550 541517149 /nfs/dbraw/zinc/51/71/49/541517149.db2.gz UUYBOSTZSMQZDL-QMMMGPOBSA-N 0 0 228.213 3.331 10 0 BGAERN O=C1CCCC[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000059078551 541390411 /nfs/dbraw/zinc/39/04/11/541390411.db2.gz UUYBOSTZSMQZDL-MRVPVSSYSA-N 0 0 228.213 3.331 10 0 BGAERN O=C(c1ccccc1)c1cccc2[nH]ccc21 ZINC000059079872 368379949 /nfs/dbraw/zinc/37/99/49/368379949.db2.gz UHUZJORSZJFKEL-UHFFFAOYSA-N 0 0 221.259 3.399 10 0 BGAERN Nc1ccccc1-c1c[nH]c2ccccc21 ZINC000059096122 181750783 /nfs/dbraw/zinc/75/07/83/181750783.db2.gz JRRUDURPMWPONS-UHFFFAOYSA-N 0 0 208.264 3.417 10 0 BGAERN Cc1nc2cc(F)ccc2n1-c1ccccc1 ZINC000059111931 180079775 /nfs/dbraw/zinc/07/97/75/180079775.db2.gz FBYJLZWLBSKZBP-UHFFFAOYSA-N 0 0 226.254 3.473 10 0 BGAERN Cn1nc2ccccc2c1Cc1ccccc1 ZINC000059114567 372142477 /nfs/dbraw/zinc/14/24/77/372142477.db2.gz SPUAMPDCRZKKQX-UHFFFAOYSA-N 0 0 222.291 3.164 10 0 BGAERN CCCCCC#Cc1ccc(C=O)cc1 ZINC000059126709 347226899 /nfs/dbraw/zinc/22/68/99/347226899.db2.gz UOVJILAPVLPLBT-UHFFFAOYSA-N 0 0 200.281 3.431 10 0 BGAERN COc1ccc(OC)c(/C=C/Br)c1 ZINC000059130839 368334332 /nfs/dbraw/zinc/33/43/32/368334332.db2.gz CUUOAHUUOKHVRI-AATRIKPKSA-N 0 0 243.100 3.069 10 0 BGAERN CCOC(=O)[C@H]1CC=CC[C@@H]1c1ccccc1 ZINC000059134841 343706225 /nfs/dbraw/zinc/70/62/25/343706225.db2.gz DPIVSZXNSCSMMH-KGLIPLIRSA-N 0 0 230.307 3.300 10 0 BGAERN Cc1cc(Cl)c(N)c(C(F)(F)F)c1 ZINC000059164215 350210456 /nfs/dbraw/zinc/21/04/56/350210456.db2.gz BDEQZXWRPHSWAS-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN CCNc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000059172200 368333813 /nfs/dbraw/zinc/33/38/13/368333813.db2.gz FPBYIPIFJLLLCL-UHFFFAOYSA-N 0 0 221.300 3.074 10 0 BGAERN Nc1c(O)ccc(C(F)(F)F)c1C(F)(F)F ZINC000059194948 372150253 /nfs/dbraw/zinc/15/02/53/372150253.db2.gz PKWMJDLFCQXHTC-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN Nc1c(C(F)(F)F)ccc(O)c1C(F)(F)F ZINC000059194960 372149302 /nfs/dbraw/zinc/14/93/02/372149302.db2.gz VSIAQYMGGSTBOZ-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN BrC(Br)=CC1CC1 ZINC000059201277 386383065 /nfs/dbraw/zinc/38/30/65/386383065.db2.gz LRBNUEQKNNQJFJ-UHFFFAOYSA-N 0 0 225.911 3.028 10 0 in-vitro BGAERN Cc1cccc(-c2nc3cccnc3o2)c1 ZINC000059210071 178997030 /nfs/dbraw/zinc/99/70/30/178997030.db2.gz UQWHJJMSHWJPBJ-UHFFFAOYSA-N 0 0 210.236 3.198 10 0 BGAERN COC1CCC(c2ccc(O)cc2)CC1 ZINC000059232086 353177486 /nfs/dbraw/zinc/17/74/86/353177486.db2.gz UHLJMXYOTIJOJU-UHFFFAOYSA-N 0 0 206.285 3.065 10 0 BGAERN O=C1c2ccc(Cl)cc2CCc2ncccc21 ZINC000059241875 347228620 /nfs/dbraw/zinc/22/86/20/347228620.db2.gz WXEOXQGAJCUGLF-UHFFFAOYSA-N 0 0 243.693 3.065 10 0 BGAERN O=c1c2ccc(Cl)cc2ccc2ncccc21 ZINC000059242057 347227936 /nfs/dbraw/zinc/22/79/36/347227936.db2.gz SKKJCLPIEUBBKV-UHFFFAOYSA-N 0 0 241.677 3.402 10 0 BGAERN CC[C@@]12CCC(=O)C[C@H]1CCc1cc(O)ccc12 ZINC000059242239 347228284 /nfs/dbraw/zinc/22/82/84/347228284.db2.gz DKAIETXDHPNEQS-MLGOLLRUSA-N 0 0 244.334 3.355 10 0 BGAERN O=c1c2ccc(Cl)cc2ccc2ccncc21 ZINC000059242245 347228231 /nfs/dbraw/zinc/22/82/31/347228231.db2.gz WLYJJHAEAWKZMZ-UHFFFAOYSA-N 0 0 241.677 3.402 10 0 BGAERN COCCCCC(=O)c1ccc(Cl)cc1 ZINC000059246749 174175188 /nfs/dbraw/zinc/17/51/88/174175188.db2.gz KNDKIXNRTKTQCI-UHFFFAOYSA-N 0 0 226.703 3.339 10 0 in-vitro BGAERN CCCCOP1(=O)CC(C)=C(C)C1 ZINC000059288040 368333639 /nfs/dbraw/zinc/33/36/39/368333639.db2.gz IRGZZWIXTMDFBC-UHFFFAOYSA-N 0 0 202.234 3.431 10 0 BGAERN CCc1ccc(Br)c2[nH]ccc21 ZINC000059297753 385043763 /nfs/dbraw/zinc/04/37/63/385043763.db2.gz LLJFPHDTIRWSKY-UHFFFAOYSA-N 0 0 224.101 3.493 10 0 BGAERN C=C(Cl)C(=O)Nc1cccc(Cl)c1 ZINC000059297773 372161450 /nfs/dbraw/zinc/16/14/50/372161450.db2.gz PXYCHIOTCPXZEL-UHFFFAOYSA-N 0 0 216.067 3.031 10 0 BGAERN Nc1cccc2oc(-c3ccccc3)nc21 ZINC000059306974 181750607 /nfs/dbraw/zinc/75/06/07/181750607.db2.gz RYDRBYYQOYXMPC-UHFFFAOYSA-N 0 0 210.236 3.077 10 0 BGAERN COc1nc2c(cccc2Br)s1 ZINC000059347509 372170052 /nfs/dbraw/zinc/17/00/52/372170052.db2.gz YWILCUMGLUVLFC-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN ClC(Cl)(Cl)c1ncc2ccccc2n1 ZINC000059369749 385045850 /nfs/dbraw/zinc/04/58/50/385045850.db2.gz ZLZYVPMWRLVXSM-UHFFFAOYSA-N 0 0 247.512 3.457 10 0 BGAERN Cc1nc(Cl)c(C(C)C)c(Cl)n1 ZINC000059451255 355214817 /nfs/dbraw/zinc/21/48/17/355214817.db2.gz BLLAUDOHYJCZSG-UHFFFAOYSA-N 0 0 205.088 3.215 10 0 BGAERN COc1ccc2c(c1)C(=O)c1ccccc1CC2 ZINC000059452191 175207138 /nfs/dbraw/zinc/20/71/38/175207138.db2.gz JPZSNCJZMJUYHS-UHFFFAOYSA-N 0 0 238.286 3.025 10 0 in-vitro BGAERN O=c1ccc(-c2ccc(Cl)cc2Cl)c[nH]1 ZINC000059455983 388397520 /nfs/dbraw/zinc/39/75/20/388397520.db2.gz KLNWAIHWOBUWMK-UHFFFAOYSA-N 0 0 240.089 3.349 10 0 BGAERN C[C@H](O)c1ccc(Br)cc1Cl ZINC000059522223 188302430 /nfs/dbraw/zinc/30/24/30/188302430.db2.gz NAYSGTXOWDUFAT-YFKPBYRVSA-N 0 0 235.508 3.156 10 0 BGAERN C[C@@H](O)c1ccc(Br)cc1Cl ZINC000059522224 343710155 /nfs/dbraw/zinc/71/01/55/343710155.db2.gz NAYSGTXOWDUFAT-RXMQYKEDSA-N 0 0 235.508 3.156 10 0 BGAERN CCCCC(=O)c1ccc(N(C)C)cc1 ZINC000059523658 372194289 /nfs/dbraw/zinc/19/42/89/372194289.db2.gz YNGLIQOJJAQTTJ-UHFFFAOYSA-N 0 0 205.301 3.126 10 0 BGAERN O=Cc1ccc(Cl)c(Br)c1F ZINC000059528407 372194358 /nfs/dbraw/zinc/19/43/58/372194358.db2.gz VCVNMLCQAPKRNK-UHFFFAOYSA-N 0 0 237.455 3.054 10 0 BGAERN CCOc1c(O)ccc(Cl)c1Cl ZINC000059557339 372195738 /nfs/dbraw/zinc/19/57/38/372195738.db2.gz FSZOOIPIXZDPRT-UHFFFAOYSA-N 0 0 207.056 3.098 10 0 BGAERN C=CC(=O)OCCCCCc1ccccc1 ZINC000059565532 347229737 /nfs/dbraw/zinc/22/97/37/347229737.db2.gz FBOYEYXUKAKVDL-UHFFFAOYSA-N 0 0 218.296 3.129 10 0 BGAERN CC(C)c1ccc(Br)c(O)c1 ZINC000059573018 385050401 /nfs/dbraw/zinc/05/04/01/385050401.db2.gz FPMPRKFDEHVMFC-UHFFFAOYSA-N 0 0 215.090 3.278 10 0 BGAERN CCOC(=O)c1ccc(C=C(C)C)c(F)c1 ZINC000059594582 368333671 /nfs/dbraw/zinc/33/36/71/368333671.db2.gz 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/nfs/dbraw/zinc/33/15/10/175331510.db2.gz ADHKEKKZRFXXPM-UHFFFAOYSA-N 0 0 243.306 3.321 10 0 BGAERN COc1cccc(CNc2ccc(C)c(O)c2)c1 ZINC000059636771 175269281 /nfs/dbraw/zinc/26/92/81/175269281.db2.gz OEASJEIEEDOBSD-UHFFFAOYSA-N 0 0 243.306 3.321 10 0 BGAERN FC(F)(F)c1ccc(-c2c[nH]cn2)cc1 ZINC000059639962 385050646 /nfs/dbraw/zinc/05/06/46/385050646.db2.gz MZTSHPGIQLFJAY-UHFFFAOYSA-N 0 0 212.174 3.096 10 0 BGAERN CCCNc1nc(Cl)nc2ccsc21 ZINC000059666646 350212750 /nfs/dbraw/zinc/21/27/50/350212750.db2.gz XUTFGEBBHSHDLA-UHFFFAOYSA-N 0 0 227.720 3.167 10 0 BGAERN O=Cc1ccc(Cc2cccc(Cl)c2)o1 ZINC000059679316 349227930 /nfs/dbraw/zinc/22/79/30/349227930.db2.gz KYJQTMSRCNJLDP-UHFFFAOYSA-N 0 0 220.655 3.336 10 0 BGAERN O=Cc1cc(Oc2cccc(F)c2)cs1 ZINC000059679941 342854194 /nfs/dbraw/zinc/85/41/94/342854194.db2.gz FSLZZIRGTVAARN-UHFFFAOYSA-N 0 0 222.240 3.492 10 0 BGAERN c1cc(C2OCCO2)sc1Cc1ccccc1 ZINC000059680125 368333231 /nfs/dbraw/zinc/33/32/31/368333231.db2.gz SOCPVBCUUJFSAO-UHFFFAOYSA-N 0 0 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343712679 /nfs/dbraw/zinc/71/26/79/343712679.db2.gz AKKJPDYRCUNZDM-UHFFFAOYSA-N 0 0 245.322 3.469 10 0 BGAERN CCOC(=O)c1[nH]c2cc(CC)ccc2c1CC ZINC000059730982 343712381 /nfs/dbraw/zinc/71/23/81/343712381.db2.gz JUZJZQRGOIKZRT-UHFFFAOYSA-N 0 0 245.322 3.469 10 0 BGAERN CCOC(=O)c1[nH]c2c(cccc2CC)c1CC ZINC000059730985 343712336 /nfs/dbraw/zinc/71/23/36/343712336.db2.gz IFWIIOJJTOKCAT-UHFFFAOYSA-N 0 0 245.322 3.469 10 0 BGAERN CCOC(=O)c1[nH]c2ccc(F)cc2c1CC ZINC000059730991 343712669 /nfs/dbraw/zinc/71/26/69/343712669.db2.gz YHDPTFUBKZJBRC-UHFFFAOYSA-N 0 0 235.258 3.046 10 0 BGAERN CCOC(=O)c1[nH]c2c(cccc2F)c1CC ZINC000059730994 343712575 /nfs/dbraw/zinc/71/25/75/343712575.db2.gz AWNPKFNLUXRITC-UHFFFAOYSA-N 0 0 235.258 3.046 10 0 BGAERN CCCc1c2ccccc2[nH]c1C(=O)OCC ZINC000059731009 342858585 /nfs/dbraw/zinc/85/85/85/342858585.db2.gz XETZAKOGKWCGRD-UHFFFAOYSA-N 0 0 231.295 3.297 10 0 BGAERN Cc1c(N)cc(Cl)cc1C(=O)c1ccccc1 ZINC000059740185 177611207 /nfs/dbraw/zinc/61/12/07/177611207.db2.gz 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/nfs/dbraw/zinc/22/15/76/350221576.db2.gz FOGSKIDNZPHPDD-UHFFFAOYSA-N 0 0 248.717 3.012 10 0 BGAERN CSc1c(Cl)cc(N)cc1Cl ZINC000060051254 342888643 /nfs/dbraw/zinc/88/86/43/342888643.db2.gz HYVHLWATOYTKGU-UHFFFAOYSA-N 0 0 208.113 3.298 10 0 BGAERN Oc1ccc2c(c1)CCN2c1ccc(F)cc1 ZINC000060051616 368335535 /nfs/dbraw/zinc/33/55/35/368335535.db2.gz SSVAATMJJFBHAU-UHFFFAOYSA-N 0 0 229.254 3.226 10 0 BGAERN Oc1ccc2c(ccn2-c2ccccc2)c1 ZINC000060051822 368335230 /nfs/dbraw/zinc/33/52/30/368335230.db2.gz LSCZHNNSVGHIIM-UHFFFAOYSA-N 0 0 209.248 3.336 10 0 BGAERN O=Cc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000060096831 182867533 /nfs/dbraw/zinc/86/75/33/182867533.db2.gz WSMRDQYRUQAEKX-UHFFFAOYSA-N 0 0 244.677 3.384 10 0 BGAERN Brc1snc2ccccc12 ZINC000060106753 166109689 /nfs/dbraw/zinc/10/96/89/166109689.db2.gz YCFSBJXGDKDEFM-UHFFFAOYSA-N 0 0 214.087 3.059 10 0 BGAERN O=C1COCc2cc(-c3ccccc3)ccc21 ZINC000060112682 368335177 /nfs/dbraw/zinc/33/51/77/368335177.db2.gz OULIFZNEIRZILE-UHFFFAOYSA-N 0 0 224.259 3.067 10 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/nfs/dbraw/zinc/37/94/88/368379488.db2.gz SVASTGHEEMGKQO-VXGBXAGGSA-N 0 0 204.313 3.330 10 0 BGAERN CC1(Cc2ccccc2)CCC(=O)CC1 ZINC000060237172 168053068 /nfs/dbraw/zinc/05/30/68/168053068.db2.gz QTEIPGHFGRLGHG-UHFFFAOYSA-N 0 0 202.297 3.379 10 0 BGAERN CC(C)c1cccc(C(C)C)c1CCO ZINC000060262215 343331360 /nfs/dbraw/zinc/33/13/60/343331360.db2.gz HJEPDSMAYJRHGO-UHFFFAOYSA-N 0 0 206.329 3.468 10 0 BGAERN CC(=O)c1ccc(OC(F)(F)F)c(C)c1 ZINC000060267221 343331633 /nfs/dbraw/zinc/33/16/33/343331633.db2.gz HQPXSPCSJLPJIO-UHFFFAOYSA-N 0 0 218.174 3.096 10 0 BGAERN CC1CCC(C(=O)Oc2ccccc2)CC1 ZINC000060286706 168149044 /nfs/dbraw/zinc/14/90/44/168149044.db2.gz RUDYNVVHAQTPQV-UHFFFAOYSA-N 0 0 218.296 3.418 10 0 BGAERN CCC[C@@H](C)CN1CCNc2ccccc21 ZINC000060359622 322858426 /nfs/dbraw/zinc/85/84/26/322858426.db2.gz DDKDTJGALHSKRD-GFCCVEGCSA-N 0 0 218.344 3.355 10 0 BGAERN C[C@@H](O)c1ccc(N2CC[C@@H](C)C[C@H]2C)cc1 ZINC000060392720 132368828 /nfs/dbraw/zinc/36/88/28/132368828.db2.gz 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BGAERN CCc1ccc([C@H]2CCCCC2=O)cc1 ZINC000060710609 384857929 /nfs/dbraw/zinc/85/79/29/384857929.db2.gz VPUMWCRBFGHORS-CYBMUJFWSA-N 0 0 202.297 3.476 10 0 BGAERN O=C1CCCCC[C@H]1c1cccc(F)c1 ZINC000060710949 384855628 /nfs/dbraw/zinc/85/56/28/384855628.db2.gz AYXXXNLQLZVMMD-LBPRGKRZSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCCC[C@@H]1c1cccc(F)c1 ZINC000060710952 384855865 /nfs/dbraw/zinc/85/58/65/384855865.db2.gz AYXXXNLQLZVMMD-GFCCVEGCSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCCC[C@H]1c1ccc(F)cc1 ZINC000060711018 384855953 /nfs/dbraw/zinc/85/59/53/384855953.db2.gz CEJBBEFGVINCNJ-LBPRGKRZSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000060711022 384855462 /nfs/dbraw/zinc/85/54/62/384855462.db2.gz CEJBBEFGVINCNJ-GFCCVEGCSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCCC[C@H]1c1ccccc1F ZINC000060711032 384856824 /nfs/dbraw/zinc/85/68/24/384856824.db2.gz YSENGYNMDPHQHK-NSHDSACASA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCCC[C@@H]1c1ccccc1F ZINC000060711036 384855679 /nfs/dbraw/zinc/85/56/79/384855679.db2.gz YSENGYNMDPHQHK-LLVKDONJSA-N 0 0 206.260 3.443 10 0 BGAERN Nc1ccccc1NCCc1cc(F)cc(F)c1 ZINC000060717818 181755776 /nfs/dbraw/zinc/75/57/76/181755776.db2.gz UASVKENODGCJMI-UHFFFAOYSA-N 0 0 248.276 3.202 10 0 BGAERN C[C@@H]1Cc2ccccc2N1C[C@@H]1CCCCC1=O ZINC000060719962 176451347 /nfs/dbraw/zinc/45/13/47/176451347.db2.gz STIVDZFTVCXLBG-OCCSQVGLSA-N 0 0 243.350 3.197 10 0 BGAERN C[C@H]1Cc2ccccc2N1C[C@@H]1CCCCC1=O ZINC000060719963 177390186 /nfs/dbraw/zinc/39/01/86/177390186.db2.gz STIVDZFTVCXLBG-JSGCOSHPSA-N 0 0 243.350 3.197 10 0 BGAERN O=C1CCCC[C@H]1CN1CCCc2ccccc21 ZINC000060719980 132368746 /nfs/dbraw/zinc/36/87/46/132368746.db2.gz SGFXPBQBQBVZJI-AWEZNQCLSA-N 0 0 243.350 3.199 10 0 BGAERN O=C1CCCC[C@@H]1CN1CCCc2ccccc21 ZINC000060719982 132368693 /nfs/dbraw/zinc/36/86/93/132368693.db2.gz SGFXPBQBQBVZJI-CQSZACIVSA-N 0 0 243.350 3.199 10 0 BGAERN Cc1cccc(N(C)C[C@@H]2CCCCC2=O)c1 ZINC000060720336 179116566 /nfs/dbraw/zinc/11/65/66/179116566.db2.gz 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BGAERN Fc1cc(F)c(NC2CCSCC2)cc1F ZINC000061093415 180952018 /nfs/dbraw/zinc/95/20/18/180952018.db2.gz LOALJGBCPUBJKF-UHFFFAOYSA-N 0 0 247.285 3.411 10 0 BGAERN Fc1cc(F)c(NC2CCC2)cc1F ZINC000061093729 344848412 /nfs/dbraw/zinc/84/84/12/344848412.db2.gz KNSUDRMUUBSHHG-UHFFFAOYSA-N 0 0 201.191 3.068 10 0 BGAERN Fc1cc(F)c2nccc(Cl)c2c1F ZINC000061094890 344847273 /nfs/dbraw/zinc/84/72/73/344847273.db2.gz WARQCQUSXSIQQE-UHFFFAOYSA-N 0 0 217.577 3.306 10 0 BGAERN Fc1cccc(Nc2cc(F)c(F)cc2F)n1 ZINC000061094956 181002759 /nfs/dbraw/zinc/00/27/59/181002759.db2.gz KYCSCWPHXHDEEI-UHFFFAOYSA-N 0 0 242.175 3.382 10 0 BGAERN CCNc1ccnc2c(F)cc(F)c(F)c12 ZINC000061095064 170175320 /nfs/dbraw/zinc/17/53/20/170175320.db2.gz ZICWJQQCXCZPIU-UHFFFAOYSA-N 0 0 226.201 3.084 10 0 BGAERN CCNc1cc(C)nc2c(F)cc(F)c(F)c12 ZINC000061095083 170171951 /nfs/dbraw/zinc/17/19/51/170171951.db2.gz TYOMJLPHBOUIFQ-UHFFFAOYSA-N 0 0 240.228 3.392 10 0 BGAERN CC[C@@H](C)Nc1cc(F)cc(F)c1F ZINC000061095427 344847384 /nfs/dbraw/zinc/84/73/84/344847384.db2.gz ORNYOOCFVCKUTF-ZCFIWIBFSA-N 0 0 203.207 3.314 10 0 BGAERN CC[C@H](C)Nc1cc(F)cc(F)c1F ZINC000061095428 344847300 /nfs/dbraw/zinc/84/73/00/344847300.db2.gz ORNYOOCFVCKUTF-LURJTMIESA-N 0 0 203.207 3.314 10 0 BGAERN CCCCOCCNc1cc(F)cc(F)c1F ZINC000061095757 168903287 /nfs/dbraw/zinc/90/32/87/168903287.db2.gz PLKNSVWEASKVKG-UHFFFAOYSA-N 0 0 247.260 3.333 10 0 BGAERN CC[C@@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061095889 344847246 /nfs/dbraw/zinc/84/72/46/344847246.db2.gz DYPYINAUXVJOSI-ZCFIWIBFSA-N 0 0 203.207 3.314 10 0 BGAERN CC[C@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061095892 344847089 /nfs/dbraw/zinc/84/70/89/344847089.db2.gz DYPYINAUXVJOSI-LURJTMIESA-N 0 0 203.207 3.314 10 0 BGAERN Fc1cc(NC[C@@H]2CCCCO2)cc(F)c1F ZINC000061096123 180954802 /nfs/dbraw/zinc/95/48/02/180954802.db2.gz JSYKUAKOSRQQSG-VIFPVBQESA-N 0 0 245.244 3.085 10 0 BGAERN Fc1cc(NC[C@H]2CCCCO2)cc(F)c1F ZINC000061096125 180954848 /nfs/dbraw/zinc/95/48/48/180954848.db2.gz JSYKUAKOSRQQSG-SECBINFHSA-N 0 0 245.244 3.085 10 0 BGAERN Cc1cc(NCC(F)(F)F)ccc1F ZINC000061096775 343722614 /nfs/dbraw/zinc/72/26/14/343722614.db2.gz RMAXEKBBXXIPKT-UHFFFAOYSA-N 0 0 207.170 3.108 10 0 BGAERN Cc1cc(NCCc2ccncc2)ccc1F ZINC000061097161 178162966 /nfs/dbraw/zinc/16/29/66/178162966.db2.gz KWVURZJYYXEHLB-UHFFFAOYSA-N 0 0 230.286 3.184 10 0 BGAERN Cc1cc(NC[C@H](O)c2ccccc2)ccc1F ZINC000061097179 178169227 /nfs/dbraw/zinc/16/92/27/178169227.db2.gz MALLJHAYNAWXFQ-HNNXBMFYSA-N 0 0 245.297 3.280 10 0 BGAERN Cc1cc(NC[C@@H](O)c2ccccc2)ccc1F ZINC000061097182 178165477 /nfs/dbraw/zinc/16/54/77/178165477.db2.gz MALLJHAYNAWXFQ-OAHLLOKOSA-N 0 0 245.297 3.280 10 0 BGAERN Fc1cc(F)c(F)c(NCc2cncs2)c1 ZINC000061098296 180951897 /nfs/dbraw/zinc/95/18/97/180951897.db2.gz VRTMKUDMOHHQCP-UHFFFAOYSA-N 0 0 244.241 3.173 10 0 BGAERN Fc1cc(F)c(F)c(N[C@@H]2CCSC2)c1 ZINC000061098890 180951344 /nfs/dbraw/zinc/95/13/44/180951344.db2.gz LZDNVNRICQJYMB-SSDOTTSWSA-N 0 0 233.258 3.021 10 0 BGAERN Fc1cc(NC2CCC2)cc(F)c1F ZINC000061099609 344847045 /nfs/dbraw/zinc/84/70/45/344847045.db2.gz VMYFFXUTFLKWBJ-UHFFFAOYSA-N 0 0 201.191 3.068 10 0 BGAERN Cc1cc(Nc2ncc(N)cc2C)ccc1F ZINC000061115549 178194038 /nfs/dbraw/zinc/19/40/38/178194038.db2.gz DCYQGMRPVSJLHJ-UHFFFAOYSA-N 0 0 231.274 3.163 10 0 BGAERN O=Cc1ccc(-c2cc(F)c(F)c(F)c2)o1 ZINC000061120898 640927311 /nfs/dbraw/zinc/92/73/11/640927311.db2.gz OWGSAGJPQYCDOS-UHFFFAOYSA-N 0 0 226.153 3.176 10 0 BGAERN Cc1nc(N)sc1Cc1ccc(F)c(C)c1 ZINC000061121158 178059835 /nfs/dbraw/zinc/05/98/35/178059835.db2.gz WELDQBDXRFLAHK-UHFFFAOYSA-N 0 0 236.315 3.072 10 0 BGAERN Cc1cc(N2Cc3ccc(N)cc3C2)ccc1F ZINC000061121195 178122358 /nfs/dbraw/zinc/12/23/58/178122358.db2.gz RYIPCIKBQLGLLJ-UHFFFAOYSA-N 0 0 242.297 3.237 10 0 BGAERN Fc1cc(F)c2c(Cl)ccnc2c1F ZINC000061121574 344857627 /nfs/dbraw/zinc/85/76/27/344857627.db2.gz LDVCSKIVLNMUQB-UHFFFAOYSA-N 0 0 217.577 3.306 10 0 BGAERN CCNc1ccnc2c(F)c(F)cc(F)c12 ZINC000061122446 170175666 /nfs/dbraw/zinc/17/56/66/170175666.db2.gz ALOSBKNXZKEJMY-UHFFFAOYSA-N 0 0 226.201 3.084 10 0 BGAERN CCNc1ccnc2cc(F)c(F)c(F)c21 ZINC000061122450 170174991 /nfs/dbraw/zinc/17/49/91/170174991.db2.gz UIJCCRBQGWMTOP-UHFFFAOYSA-N 0 0 226.201 3.084 10 0 BGAERN Nc1cccc(-c2cccc3cnccc32)c1 ZINC000061123275 385736561 /nfs/dbraw/zinc/73/65/61/385736561.db2.gz LNADNKNBTZGFJP-UHFFFAOYSA-N 0 0 220.275 3.484 10 0 BGAERN C[C@](O)(c1ccccc1)c1cccc2cnccc21 ZINC000061123367 177451842 /nfs/dbraw/zinc/45/18/42/177451842.db2.gz YPWNIWFDXHZORC-KRWDZBQOSA-N 0 0 249.313 3.491 10 0 BGAERN CC[C@@](O)(c1cccc2cnccc21)C(C)C ZINC000061123438 171194640 /nfs/dbraw/zinc/19/46/40/171194640.db2.gz FKCOFPKIANBLSX-HNNXBMFYSA-N 0 0 229.323 3.488 10 0 BGAERN COC(=O)[C@H](c1cccc2cnccc21)C(C)C ZINC000061123580 173807945 /nfs/dbraw/zinc/80/79/45/173807945.db2.gz MSQCGBJQNUBWOP-AWEZNQCLSA-N 0 0 243.306 3.147 10 0 BGAERN O=C(CC(F)(F)F)c1cccc2cnccc21 ZINC000061123627 181881865 /nfs/dbraw/zinc/88/18/65/181881865.db2.gz FEIPDHNQIBTEET-UHFFFAOYSA-N 0 0 239.196 3.370 10 0 BGAERN O[C@@H](c1cccc2cnccc21)C1CCCC1 ZINC000061123751 183185833 /nfs/dbraw/zinc/18/58/33/183185833.db2.gz LNZOKDFKCJBLKD-OAHLLOKOSA-N 0 0 227.307 3.458 10 0 BGAERN O[C@H](c1cccc2cnccc21)C1CCCC1 ZINC000061123752 183229622 /nfs/dbraw/zinc/22/96/22/183229622.db2.gz LNZOKDFKCJBLKD-HNNXBMFYSA-N 0 0 227.307 3.458 10 0 BGAERN Nc1onc(-c2ccccn2)c1-c1cccs1 ZINC000061125788 181819577 /nfs/dbraw/zinc/81/95/77/181819577.db2.gz OXJDNPHTCMUHHP-UHFFFAOYSA-N 0 0 243.291 3.047 10 0 BGAERN C[C@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cc1 ZINC000061206268 487470614 /nfs/dbraw/zinc/47/06/14/487470614.db2.gz OECVIMZPSQGTMJ-VIFPVBQESA-N 0 0 248.713 3.159 10 0 BGAERN C[C@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061276775 134797400 /nfs/dbraw/zinc/79/74/00/134797400.db2.gz QYZVPXJJHUFGME-VIFPVBQESA-N 0 0 245.351 3.200 10 0 BGAERN C[C@@H](Nc1ncnc2c1CCC2)c1cccs1 ZINC000061276777 358932000 /nfs/dbraw/zinc/93/20/00/358932000.db2.gz QYZVPXJJHUFGME-SECBINFHSA-N 0 0 245.351 3.200 10 0 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/nfs/dbraw/zinc/82/76/95/345827695.db2.gz MIQHEAIMAHJXPA-UHFFFAOYSA-N 0 0 210.708 3.439 10 0 BGAERN Cc1nc(-c2ncccn2)nc(Cl)c1C(C)C ZINC000061689131 179871052 /nfs/dbraw/zinc/87/10/52/179871052.db2.gz RIDHPLNRUNUWGV-UHFFFAOYSA-N 0 0 248.717 3.019 10 0 BGAERN CSCc1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689145 345827616 /nfs/dbraw/zinc/82/76/16/345827616.db2.gz ISZFWXCPJLEVEY-UHFFFAOYSA-N 0 0 230.764 3.425 10 0 BGAERN Clc1ccc(Br)c2c1NCC2 ZINC000061691077 345826930 /nfs/dbraw/zinc/82/69/30/345826930.db2.gz NVCYHXQYDSTYGW-UHFFFAOYSA-N 0 0 232.508 3.071 10 0 BGAERN Clc1ccc(Br)c2c1NCCC2 ZINC000061691085 188302313 /nfs/dbraw/zinc/30/23/13/188302313.db2.gz RMGDWFZAFAQKFJ-UHFFFAOYSA-N 0 0 246.535 3.461 10 0 BGAERN Nc1cc(-c2cncc(F)c2)ccc1Cl ZINC000061692242 181674487 /nfs/dbraw/zinc/67/44/87/181674487.db2.gz PHQDJACROMZUNE-UHFFFAOYSA-N 0 0 222.650 3.123 10 0 BGAERN CC(=O)c1ccc(N(C)C2CC2)c(Cl)c1 ZINC000061693642 345839500 /nfs/dbraw/zinc/83/95/00/345839500.db2.gz JVCWSTOYHNAZLJ-UHFFFAOYSA-N 0 0 223.703 3.141 10 0 BGAERN CC(=O)c1ccc(-n2ccnc2C)c(Cl)c1 ZINC000061694466 640987734 /nfs/dbraw/zinc/98/77/34/640987734.db2.gz YCTUEBGVCDJSLF-UHFFFAOYSA-N 0 0 234.686 3.037 10 0 BGAERN CC(=O)c1ccc(-n2cc(C)cn2)c(Cl)c1 ZINC000061694488 640987728 /nfs/dbraw/zinc/98/77/28/640987728.db2.gz SRFJLBUIWCBCHJ-UHFFFAOYSA-N 0 0 234.686 3.037 10 0 BGAERN CC(=O)c1ccc(-n2ccc(C)n2)c(Cl)c1 ZINC000061694538 640987139 /nfs/dbraw/zinc/98/71/39/640987139.db2.gz VMFZYXZGTQCQPW-UHFFFAOYSA-N 0 0 234.686 3.037 10 0 BGAERN C[C@H](O)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694959 343727707 /nfs/dbraw/zinc/72/77/07/343727707.db2.gz COJVUXQJBFJDGB-JTQLQIEISA-N 0 0 239.746 3.384 10 0 BGAERN C[C@@H](O)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694960 132502293 /nfs/dbraw/zinc/50/22/93/132502293.db2.gz COJVUXQJBFJDGB-SNVBAGLBSA-N 0 0 239.746 3.384 10 0 BGAERN CC(=O)c1ccc(OC2CCC2)c(Cl)c1 ZINC000061696278 345841488 /nfs/dbraw/zinc/84/14/88/345841488.db2.gz DPJXURPYGIPRGF-UHFFFAOYSA-N 0 0 224.687 3.474 10 0 BGAERN CCCN(CCC)c1ccc(C)c(N)c1 ZINC000061700697 349389565 /nfs/dbraw/zinc/38/95/65/349389565.db2.gz FVWKSGOZIYNTNZ-UHFFFAOYSA-N 0 0 206.333 3.204 10 0 BGAERN Cc1ccc(N(C)Cc2ccccc2)cc1N ZINC000061700736 345842357 /nfs/dbraw/zinc/84/23/57/345842357.db2.gz OMEIMOQQLLNWQY-UHFFFAOYSA-N 0 0 226.323 3.214 10 0 BGAERN Cc1ccc(NCc2ccccc2)cc1N ZINC000061700828 345842517 /nfs/dbraw/zinc/84/25/17/345842517.db2.gz NEXOFTACHLGXMS-UHFFFAOYSA-N 0 0 212.296 3.189 10 0 BGAERN COc1ccc(Nc2ccc(C)c(N)c2)cc1 ZINC000061700932 175156229 /nfs/dbraw/zinc/15/62/29/175156229.db2.gz NAEIEIMEALANAX-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN COc1cccc(Nc2ccc(C)c(N)c2)c1 ZINC000061701072 175280980 /nfs/dbraw/zinc/28/09/80/175280980.db2.gz MUCJYXWONFBINK-UHFFFAOYSA-N 0 0 228.295 3.329 10 0 BGAERN Cc1ccc(N[C@@H](C)c2ccncc2)cc1N ZINC000061701219 178770395 /nfs/dbraw/zinc/77/03/95/178770395.db2.gz KZWQFRMBOXQEMX-NSHDSACASA-N 0 0 227.311 3.145 10 0 BGAERN Cc1ccc(N[C@H](C)c2ccco2)cc1N ZINC000061701245 178776861 /nfs/dbraw/zinc/77/68/61/178776861.db2.gz YNDDXOTWKDNCEC-SNVBAGLBSA-N 0 0 216.284 3.343 10 0 BGAERN CCCN(CC(F)(F)F)c1ccc(C)c(N)c1 ZINC000061701812 169107168 /nfs/dbraw/zinc/10/71/68/169107168.db2.gz GFQCLYSECRCACK-UHFFFAOYSA-N 0 0 246.276 3.356 10 0 BGAERN Cc1ccc(N(C)c2ccc(F)cc2)cc1N ZINC000061701910 178701793 /nfs/dbraw/zinc/70/17/93/178701793.db2.gz DPXVAXWOUSBHCL-UHFFFAOYSA-N 0 0 230.286 3.484 10 0 BGAERN Cc1ccc(N(C)c2cccc(F)c2)cc1N ZINC000061701922 178702130 /nfs/dbraw/zinc/70/21/30/178702130.db2.gz IBCQYJHSNBOVJG-UHFFFAOYSA-N 0 0 230.286 3.484 10 0 BGAERN Cc1ccc(CNc2ccc(C)c(N)c2)o1 ZINC000061702001 178638434 /nfs/dbraw/zinc/63/84/34/178638434.db2.gz VQYUFKIIHBECOR-UHFFFAOYSA-N 0 0 216.284 3.091 10 0 BGAERN OC1(c2cccc(OC(F)(F)F)c2)CCCC1 ZINC000061703162 183023494 /nfs/dbraw/zinc/02/34/94/183023494.db2.gz PEVKERALNGPQBP-UHFFFAOYSA-N 0 0 246.228 3.347 10 0 BGAERN CC(C)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000061703295 345841665 /nfs/dbraw/zinc/84/16/65/345841665.db2.gz MZRIQQFUIBSBEB-UHFFFAOYSA-N 0 0 232.201 3.424 10 0 BGAERN CCC(=O)c1cccc(OC(F)(F)F)c1 ZINC000061703297 345841563 /nfs/dbraw/zinc/84/15/63/345841563.db2.gz CDUZBAKDAOANLN-UHFFFAOYSA-N 0 0 218.174 3.178 10 0 BGAERN O[C@H]1CCC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703782 323090757 /nfs/dbraw/zinc/09/07/57/323090757.db2.gz IIDSBMAYDBFUHP-QWRGUYRKSA-N 0 0 246.228 3.214 10 0 BGAERN O[C@H]1CCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703783 323090803 /nfs/dbraw/zinc/09/08/03/323090803.db2.gz IIDSBMAYDBFUHP-MNOVXSKESA-N 0 0 246.228 3.214 10 0 BGAERN O[C@@H]1CCC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000061703785 323090793 /nfs/dbraw/zinc/09/07/93/323090793.db2.gz IIDSBMAYDBFUHP-GHMZBOCLSA-N 0 0 246.228 3.214 10 0 BGAERN CCn1nc(C)c(-c2csc(Cl)n2)c1C ZINC000061714171 345844409 /nfs/dbraw/zinc/84/44/09/345844409.db2.gz BWXXZTHDZJLKSB-UHFFFAOYSA-N 0 0 241.747 3.297 10 0 BGAERN Clc1nc2c(s1)COc1ccccc1-2 ZINC000061714182 345844686 /nfs/dbraw/zinc/84/46/86/345844686.db2.gz GIUIMDDEWTUVMX-UHFFFAOYSA-N 0 0 223.684 3.356 10 0 BGAERN Clc1nc2c(s1)Cc1ccccc1-2 ZINC000061714225 345845575 /nfs/dbraw/zinc/84/55/75/345845575.db2.gz RTBNIVAACKZPEE-UHFFFAOYSA-N 0 0 207.685 3.368 10 0 BGAERN Clc1nc2c(s1)CCCCCC2 ZINC000061714233 345845461 /nfs/dbraw/zinc/84/54/61/345845461.db2.gz IIQIGCVOBXKTAB-UHFFFAOYSA-N 0 0 201.722 3.456 10 0 BGAERN CNc1nc(-c2cc(C)oc2C)cs1 ZINC000061714315 384675228 /nfs/dbraw/zinc/67/52/28/384675228.db2.gz QYNLAAUPEYRPJS-UHFFFAOYSA-N 0 0 208.286 3.062 10 0 BGAERN CNc1nc2c(s1)CCc1sccc1-2 ZINC000061714325 345845841 /nfs/dbraw/zinc/84/58/41/345845841.db2.gz RTOIGPMNSNKVEL-UHFFFAOYSA-N 0 0 222.338 3.012 10 0 BGAERN CNc1nc(-c2cccc(C)c2)cs1 ZINC000061714327 384675064 /nfs/dbraw/zinc/67/50/64/384675064.db2.gz FQSGCNLDZNAHGB-UHFFFAOYSA-N 0 0 204.298 3.160 10 0 BGAERN CCNc1nc2c(s1)C[C@H](CC)CC2 ZINC000061714369 170177262 /nfs/dbraw/zinc/17/72/62/170177262.db2.gz HECMIKDKPHVBOG-MRVPVSSYSA-N 0 0 210.346 3.090 10 0 BGAERN CCNc1nc2c(s1)C[C@@H](CC)CC2 ZINC000061714370 170176693 /nfs/dbraw/zinc/17/66/93/170176693.db2.gz HECMIKDKPHVBOG-QMMMGPOBSA-N 0 0 210.346 3.090 10 0 BGAERN CCNc1nc(-c2ccc(C)o2)cs1 ZINC000061714371 170175369 /nfs/dbraw/zinc/17/53/69/170175369.db2.gz QCAWKKDDHHYTIE-UHFFFAOYSA-N 0 0 208.286 3.143 10 0 BGAERN CCNc1nc2c(s1)CCCCCC2 ZINC000061714372 170176816 /nfs/dbraw/zinc/17/68/16/170176816.db2.gz YQLILOGMCVRIMP-UHFFFAOYSA-N 0 0 210.346 3.234 10 0 BGAERN CCNc1nc(-c2cc(C)oc2C)cs1 ZINC000061714381 170175463 /nfs/dbraw/zinc/17/54/63/170175463.db2.gz TVAGZRCJGJINBR-UHFFFAOYSA-N 0 0 222.313 3.452 10 0 BGAERN CCNc1nc(-c2ccsc2)cs1 ZINC000061714388 170175111 /nfs/dbraw/zinc/17/51/11/170175111.db2.gz JIMRZLJGWCWSAX-UHFFFAOYSA-N 0 0 210.327 3.303 10 0 BGAERN CCNc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000061714390 170176986 /nfs/dbraw/zinc/17/69/86/170176986.db2.gz MLPSHVPKJCWNTE-SECBINFHSA-N 0 0 224.373 3.336 10 0 BGAERN CCNc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000061714391 170176934 /nfs/dbraw/zinc/17/69/34/170176934.db2.gz MLPSHVPKJCWNTE-VIFPVBQESA-N 0 0 224.373 3.336 10 0 BGAERN CCCNc1nc(-c2ccncc2)cs1 ZINC000061714420 169296200 /nfs/dbraw/zinc/29/62/00/169296200.db2.gz RZZYYYUTMTUDGM-UHFFFAOYSA-N 0 0 219.313 3.027 10 0 BGAERN CCCNc1nc2c(s1)C[C@H](C)CC2 ZINC000061714435 169296713 /nfs/dbraw/zinc/29/67/13/169296713.db2.gz HQGNOAFJDPZQEQ-MRVPVSSYSA-N 0 0 210.346 3.090 10 0 BGAERN CCCNc1nc2c(s1)C[C@@H](C)CC2 ZINC000061714436 169296951 /nfs/dbraw/zinc/29/69/51/169296951.db2.gz HQGNOAFJDPZQEQ-QMMMGPOBSA-N 0 0 210.346 3.090 10 0 BGAERN CC(C)Nc1nc(-c2ccncc2)cs1 ZINC000061714476 167149422 /nfs/dbraw/zinc/14/94/22/167149422.db2.gz BNRFDAQGBWURSV-UHFFFAOYSA-N 0 0 219.313 3.025 10 0 BGAERN CC(C)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000061714494 167149191 /nfs/dbraw/zinc/14/91/91/167149191.db2.gz DVZZXPURTWGTTB-MRVPVSSYSA-N 0 0 210.346 3.088 10 0 BGAERN CC(C)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000061714495 167149058 /nfs/dbraw/zinc/14/90/58/167149058.db2.gz DVZZXPURTWGTTB-QMMMGPOBSA-N 0 0 210.346 3.088 10 0 BGAERN CC(C)(C)Nc1nc(-c2cccnc2)cs1 ZINC000061714610 166639879 /nfs/dbraw/zinc/63/98/79/166639879.db2.gz VRUKBHHYXOFIIH-UHFFFAOYSA-N 0 0 233.340 3.416 10 0 BGAERN C[C@@H]1CCc2nc(NC(C)(C)C)sc2C1 ZINC000061714621 176240430 /nfs/dbraw/zinc/24/04/30/176240430.db2.gz ZJXFHWYZIJXKML-MRVPVSSYSA-N 0 0 224.373 3.478 10 0 BGAERN C[C@H]1CCc2nc(NC(C)(C)C)sc2C1 ZINC000061714622 177210395 /nfs/dbraw/zinc/21/03/95/177210395.db2.gz ZJXFHWYZIJXKML-QMMMGPOBSA-N 0 0 224.373 3.478 10 0 BGAERN CC(C)(C)Nc1nc(C(F)(F)F)cs1 ZINC000061714628 386473593 /nfs/dbraw/zinc/47/35/93/386473593.db2.gz OBZYHXIDWQXTRS-UHFFFAOYSA-N 0 0 224.251 3.372 10 0 BGAERN CC(C)CNc1nc2c(s1)CSCC2 ZINC000061714645 167018723 /nfs/dbraw/zinc/01/87/23/167018723.db2.gz MFABGPUWHBZGFF-UHFFFAOYSA-N 0 0 228.386 3.000 10 0 BGAERN CC(C)CNc1nc(-c2ccccn2)cs1 ZINC000061714657 167018817 /nfs/dbraw/zinc/01/88/17/167018817.db2.gz YYKYHTHDKSCQAC-UHFFFAOYSA-N 0 0 233.340 3.273 10 0 BGAERN CC(C)CNc1nc(-c2ccncc2)cs1 ZINC000061714659 167019744 /nfs/dbraw/zinc/01/97/44/167019744.db2.gz NYAQYZMUGFQODG-UHFFFAOYSA-N 0 0 233.340 3.273 10 0 BGAERN CC(C)CNc1nc(-c2cccnc2)cs1 ZINC000061714665 167018540 /nfs/dbraw/zinc/01/85/40/167018540.db2.gz YCXSXMXEQXQICL-UHFFFAOYSA-N 0 0 233.340 3.273 10 0 BGAERN CC(C)Oc1ccc(-c2csc(C=O)n2)cc1 ZINC000061798303 167289099 /nfs/dbraw/zinc/28/90/99/167289099.db2.gz XGBTZXZYZOEATG-UHFFFAOYSA-N 0 0 247.319 3.410 10 0 BGAERN Cc1sc(C=O)nc1-c1ccc(C)cc1 ZINC000061798316 178333782 /nfs/dbraw/zinc/33/37/82/178333782.db2.gz YAPFRUXJKUYRRM-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN CC(C)(C)[C@@H]1CCc2nc(C=O)sc2C1 ZINC000061798326 384787751 /nfs/dbraw/zinc/78/77/51/384787751.db2.gz NATQLGOLECBPIC-MRVPVSSYSA-N 0 0 223.341 3.107 10 0 BGAERN CC(C)(C)[C@H]1CCc2nc(C=O)sc2C1 ZINC000061798330 187783770 /nfs/dbraw/zinc/78/37/70/187783770.db2.gz NATQLGOLECBPIC-QMMMGPOBSA-N 0 0 223.341 3.107 10 0 BGAERN O=Cc1nc(-c2ccc(F)c(Cl)c2)cs1 ZINC000061798482 345949752 /nfs/dbraw/zinc/94/97/52/345949752.db2.gz MZOIFVKIFXJUMQ-UHFFFAOYSA-N 0 0 241.674 3.415 10 0 BGAERN CCc1ccc(-c2csc(C=O)n2)s1 ZINC000061798588 345949820 /nfs/dbraw/zinc/94/98/20/345949820.db2.gz ONXYLUWPNDNKBA-UHFFFAOYSA-N 0 0 223.322 3.247 10 0 BGAERN CCc1sc(C=O)nc1-c1ccccc1 ZINC000061798794 345949712 /nfs/dbraw/zinc/94/97/12/345949712.db2.gz GIPPOWTZMZNWHW-UHFFFAOYSA-N 0 0 217.293 3.185 10 0 BGAERN O=Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000061799093 385138596 /nfs/dbraw/zinc/13/85/96/385138596.db2.gz RUNFJNHZWZROBA-LLVKDONJSA-N 0 0 243.331 3.228 10 0 BGAERN O=Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000061799109 385139110 /nfs/dbraw/zinc/13/91/10/385139110.db2.gz RUNFJNHZWZROBA-NSHDSACASA-N 0 0 243.331 3.228 10 0 BGAERN Cc1sc(C=O)nc1-c1ccc(F)cc1 ZINC000061799150 343729308 /nfs/dbraw/zinc/72/93/08/343729308.db2.gz FOMPDPYBOQYJKK-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN O=Cc1nc2c(s1)CSc1ccccc1-2 ZINC000061799205 345949893 /nfs/dbraw/zinc/94/98/93/345949893.db2.gz XQHGYSPSGOUDQW-UHFFFAOYSA-N 0 0 233.317 3.228 10 0 BGAERN CC(C)Oc1ccc(-c2csc(CO)n2)cc1 ZINC000061801638 167288367 /nfs/dbraw/zinc/28/83/67/167288367.db2.gz MUGZOUBKCVTYAH-UHFFFAOYSA-N 0 0 249.335 3.090 10 0 BGAERN 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/nfs/dbraw/zinc/38/72/00/132387200.db2.gz YUGDCSLSGXCWIP-UHFFFAOYSA-N 0 0 222.307 3.034 10 0 BGAERN CC1(C)CCN(c2cc(N)cc(F)c2)CC1 ZINC000061819274 132387335 /nfs/dbraw/zinc/38/73/35/132387335.db2.gz MAQIWZYJILMUSS-UHFFFAOYSA-N 0 0 222.307 3.034 10 0 BGAERN CC1(C)CCN(c2cc(F)ccc2N)CC1 ZINC000061819280 132387254 /nfs/dbraw/zinc/38/72/54/132387254.db2.gz QMMKZSDKNYSMDI-UHFFFAOYSA-N 0 0 222.307 3.034 10 0 BGAERN CC1(C)CCN(c2ccc(F)cc2C=O)CC1 ZINC000061820452 132387295 /nfs/dbraw/zinc/38/72/95/132387295.db2.gz UTYNQVZBUOZXCA-UHFFFAOYSA-N 0 0 235.302 3.265 10 0 BGAERN Cc1cc(C=O)ccc1N1CCC(C)(C)CC1 ZINC000061820457 132387131 /nfs/dbraw/zinc/38/71/31/132387131.db2.gz ICDUSXDQJWSQBU-UHFFFAOYSA-N 0 0 231.339 3.434 10 0 BGAERN COc1cc(F)c2c(c1)C(=O)CC(C)(C)CC2 ZINC000061825839 174992984 /nfs/dbraw/zinc/99/29/84/174992984.db2.gz DVKGFZVYSJNJRB-UHFFFAOYSA-N 0 0 236.286 3.380 10 0 BGAERN CC1(C)CCc2ccc(F)cc2C(=O)C1 ZINC000061825849 343729570 /nfs/dbraw/zinc/72/95/70/343729570.db2.gz 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/nfs/dbraw/zinc/22/58/04/175225804.db2.gz FMBHQPIYJJJWRP-LLVKDONJSA-N 0 0 230.307 3.162 10 0 BGAERN COc1ccc(CCC(=O)C(C)(C)C)cc1 ZINC000062164603 188360323 /nfs/dbraw/zinc/36/03/23/188360323.db2.gz CQLBKZBFTMRVKI-UHFFFAOYSA-N 0 0 220.312 3.243 10 0 BGAERN COc1ccc(CC[C@@H](O)C(C)(C)C)cc1 ZINC000062164712 175092561 /nfs/dbraw/zinc/09/25/61/175092561.db2.gz BKMYEFVNRYWHMS-CYBMUJFWSA-N 0 0 222.328 3.035 10 0 BGAERN COc1ccc(CC[C@H](O)C(C)(C)C)cc1 ZINC000062164714 175093836 /nfs/dbraw/zinc/09/38/36/175093836.db2.gz BKMYEFVNRYWHMS-ZDUSSCGKSA-N 0 0 222.328 3.035 10 0 BGAERN CCOc1cccc(CC[C@@H](O)C(C)(C)C)c1 ZINC000062164904 170573980 /nfs/dbraw/zinc/57/39/80/170573980.db2.gz SLZSUAMWVCKVDP-CQSZACIVSA-N 0 0 236.355 3.425 10 0 BGAERN Cc1cccc(CCC(=O)c2cccnc2)c1 ZINC000062166867 179053839 /nfs/dbraw/zinc/05/38/39/179053839.db2.gz KFYAWPCERDGPKC-UHFFFAOYSA-N 0 0 225.291 3.206 10 0 BGAERN Cc1cccc(CC[C@H](O)c2cccnc2)c1 ZINC000062167130 179061286 /nfs/dbraw/zinc/06/12/86/179061286.db2.gz SGBUUBBOPJMVIB-HNNXBMFYSA-N 0 0 227.307 3.056 10 0 BGAERN Cc1cccc(CC[C@@H](O)c2cccnc2)c1 ZINC000062167132 179060928 /nfs/dbraw/zinc/06/09/28/179060928.db2.gz SGBUUBBOPJMVIB-OAHLLOKOSA-N 0 0 227.307 3.056 10 0 BGAERN Cc1ccc([C@H](O)CCc2ccccn2)cc1 ZINC000062168102 178913052 /nfs/dbraw/zinc/91/30/52/178913052.db2.gz RFJLFFNAWQQHLS-OAHLLOKOSA-N 0 0 227.307 3.056 10 0 BGAERN Cc1ccc([C@@H](O)CCc2ccccn2)cc1 ZINC000062168104 178864151 /nfs/dbraw/zinc/86/41/51/178864151.db2.gz RFJLFFNAWQQHLS-HNNXBMFYSA-N 0 0 227.307 3.056 10 0 BGAERN CC(C)OC(=O)c1cccc(OC(C)C)c1 ZINC000062170392 167175066 /nfs/dbraw/zinc/17/50/66/167175066.db2.gz GZENFWQRRRRMGR-UHFFFAOYSA-N 0 0 222.284 3.039 10 0 BGAERN C[C@@](O)(Cc1ccccc1)c1cccs1 ZINC000062170666 176520372 /nfs/dbraw/zinc/52/03/72/176520372.db2.gz IEBFXDUBWAKRBR-CYBMUJFWSA-N 0 0 218.321 3.198 10 0 BGAERN C[C@](O)(Cc1ccccc1)c1cccs1 ZINC000062170668 386496026 /nfs/dbraw/zinc/49/60/26/386496026.db2.gz IEBFXDUBWAKRBR-ZDUSSCGKSA-N 0 0 218.321 3.198 10 0 BGAERN CC(C)COC(=O)c1cccc(OC(C)C)c1 ZINC000062170886 167022994 /nfs/dbraw/zinc/02/29/94/167022994.db2.gz WWKOKJRWHVMFMX-UHFFFAOYSA-N 0 0 236.311 3.287 10 0 BGAERN C[C@@H](Cc1ccccc1)Nc1cccc(N)c1 ZINC000062185262 175774306 /nfs/dbraw/zinc/77/43/06/175774306.db2.gz ZDTCUXDIRPYTAD-LBPRGKRZSA-N 0 0 226.323 3.312 10 0 BGAERN C[C@@H](Cc1ccccc1)Nc1ccc(N)cc1F ZINC000062185285 175773662 /nfs/dbraw/zinc/77/36/62/175773662.db2.gz DYWBEGQTNCIELV-NSHDSACASA-N 0 0 244.313 3.451 10 0 BGAERN C[C@H](Cc1ccccc1)Nc1cc(N)cc(F)c1 ZINC000062185413 176724580 /nfs/dbraw/zinc/72/45/80/176724580.db2.gz ZJRQPPKQHHEMMD-LLVKDONJSA-N 0 0 244.313 3.451 10 0 BGAERN C[C@@H](Cc1ccccc1)Nc1nccs1 ZINC000062188386 175774313 /nfs/dbraw/zinc/77/43/13/175774313.db2.gz HAHDFPJSGJSSBW-JTQLQIEISA-N 0 0 218.325 3.186 10 0 BGAERN C[C@@H](Cc1ccccc1)n1cc[nH]c1=S ZINC000062189196 349461056 /nfs/dbraw/zinc/46/10/56/349461056.db2.gz XYWCTFQIKOFSEU-JTQLQIEISA-N 0 0 218.325 3.349 10 0 BGAERN C[C@H](Cc1ccccc1)n1cc[nH]c1=S ZINC000062189197 349461101 /nfs/dbraw/zinc/46/11/01/349461101.db2.gz XYWCTFQIKOFSEU-SNVBAGLBSA-N 0 0 218.325 3.349 10 0 BGAERN CCc1n[nH]c(=S)n1[C@@H](C)Cc1ccccc1 ZINC000062189380 171935346 /nfs/dbraw/zinc/93/53/46/171935346.db2.gz MTIPHHWFOFVLMN-JTQLQIEISA-N 0 0 247.367 3.307 10 0 BGAERN CC[C@@H]1CSC(N[C@@H](C)Cc2ccccc2)=[NH+]1 ZINC000062189660 171113894 /nfs/dbraw/zinc/11/38/94/171113894.db2.gz LAMVOBHGVCWIIU-WCQYABFASA-N 0 0 248.395 3.089 10 0 BGAERN CC[C@@H]1CSC(N[C@H](C)Cc2ccccc2)=[NH+]1 ZINC000062189666 171114157 /nfs/dbraw/zinc/11/41/57/171114157.db2.gz LAMVOBHGVCWIIU-DGCLKSJQSA-N 0 0 248.395 3.089 10 0 BGAERN Cc1cc(C)c(C(=O)[C@@H]2CCCOC2)c(C)c1 ZINC000062194868 177849015 /nfs/dbraw/zinc/84/90/15/177849015.db2.gz FVZQDZBWATXECX-CYBMUJFWSA-N 0 0 232.323 3.221 10 0 BGAERN O=C(c1ccc(Cl)s1)[C@@H]1CCCOC1 ZINC000062195298 346216580 /nfs/dbraw/zinc/21/65/80/346216580.db2.gz KRUXEAIBHYPNGB-SSDOTTSWSA-N 0 0 230.716 3.011 10 0 BGAERN O=C(c1ccc(Cl)s1)[C@H]1CCCOC1 ZINC000062195299 346216517 /nfs/dbraw/zinc/21/65/17/346216517.db2.gz KRUXEAIBHYPNGB-ZETCQYMHSA-N 0 0 230.716 3.011 10 0 BGAERN CC(C)Oc1ccc(C(=O)[C@@H]2CCCOC2)cc1 ZINC000062195370 167289714 /nfs/dbraw/zinc/28/97/14/167289714.db2.gz AQJXARLBJYAQSN-CYBMUJFWSA-N 0 0 248.322 3.083 10 0 BGAERN CC(C)Oc1ccc(C(=O)[C@H]2CCCOC2)cc1 ZINC000062195371 167289794 /nfs/dbraw/zinc/28/97/94/167289794.db2.gz AQJXARLBJYAQSN-ZDUSSCGKSA-N 0 0 248.322 3.083 10 0 BGAERN CCCCc1nc2ccc(O)cc2s1 ZINC000062199996 169027137 /nfs/dbraw/zinc/02/71/37/169027137.db2.gz SVKYSUTUDAOJJA-UHFFFAOYSA-N 0 0 207.298 3.345 10 0 BGAERN CCCCc1nc2c(cccc2O)s1 ZINC000062200456 169028157 /nfs/dbraw/zinc/02/81/57/169028157.db2.gz DTCWVKACRRDLTL-UHFFFAOYSA-N 0 0 207.298 3.345 10 0 BGAERN OCc1cnc(CSC2CCCCC2)s1 ZINC000062201364 183169614 /nfs/dbraw/zinc/16/96/14/183169614.db2.gz PNSJLTNYZCOWDT-UHFFFAOYSA-N 0 0 243.397 3.201 10 0 BGAERN CCCOc1ccc(-c2ncc(CO)s2)cc1 ZINC000062201602 169316554 /nfs/dbraw/zinc/31/65/54/169316554.db2.gz GZJGHPOHOAMGAJ-UHFFFAOYSA-N 0 0 249.335 3.091 10 0 BGAERN Cc1cc(-c2ccc(F)cc2)nc(Cl)n1 ZINC000062202886 385090991 /nfs/dbraw/zinc/09/09/91/385090991.db2.gz LYIJHPIFVURTQC-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN Cc1cc(-c2cccs2)nc(Cl)n1 ZINC000062202909 346217955 /nfs/dbraw/zinc/21/79/55/346217955.db2.gz OBRGJCLVVJPXAU-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN Cc1cc(-c2ccc(F)cc2)nc(=S)[nH]1 ZINC000062202965 385166132 /nfs/dbraw/zinc/16/61/32/385166132.db2.gz IFPKVTSAVFCMCW-UHFFFAOYSA-N 0 0 220.272 3.254 10 0 BGAERN COc1ccccc1-c1cc(C)[nH]c(=S)n1 ZINC000062202969 175309325 /nfs/dbraw/zinc/30/93/25/175309325.db2.gz YBMYZPJFBAIAFZ-UHFFFAOYSA-N 0 0 232.308 3.123 10 0 BGAERN COc1cccc(-c2cc(C)[nH]c(=S)n2)c1 ZINC000062202971 175233054 /nfs/dbraw/zinc/23/30/54/175233054.db2.gz JWLAPTTYHLAQAA-UHFFFAOYSA-N 0 0 232.308 3.123 10 0 BGAERN COc1ccc(-c2cc(=S)[nH]c(C)n2)cc1 ZINC000062202995 175030717 /nfs/dbraw/zinc/03/07/17/175030717.db2.gz APQKTYHVSUOASV-UHFFFAOYSA-N 0 0 232.308 3.123 10 0 BGAERN CCCCc1ccc([C@H](O)[C@@H]2CCCOC2)cc1 ZINC000062239497 169024386 /nfs/dbraw/zinc/02/43/86/169024386.db2.gz AWNNAFBSRQYPNB-CVEARBPZSA-N 0 0 248.366 3.489 10 0 BGAERN CCCCc1ccc([C@@H](O)[C@@H]2CCCOC2)cc1 ZINC000062239501 169023770 /nfs/dbraw/zinc/02/37/70/169023770.db2.gz AWNNAFBSRQYPNB-HZPDHXFCSA-N 0 0 248.366 3.489 10 0 BGAERN CCCCc1ccc([C@H](O)[C@H]2CCCOC2)cc1 ZINC000062239507 169025040 /nfs/dbraw/zinc/02/50/40/169025040.db2.gz AWNNAFBSRQYPNB-HOTGVXAUSA-N 0 0 248.366 3.489 10 0 BGAERN CCCCc1ccc([C@@H](O)[C@H]2CCCOC2)cc1 ZINC000062239511 169023220 /nfs/dbraw/zinc/02/32/20/169023220.db2.gz AWNNAFBSRQYPNB-JKSUJKDBSA-N 0 0 248.366 3.489 10 0 BGAERN Cc1ccc(C(=O)c2ccc3c(c2)COC3)cc1 ZINC000062331394 188303080 /nfs/dbraw/zinc/30/30/80/188303080.db2.gz JAVQNLFSKHNRIC-UHFFFAOYSA-N 0 0 238.286 3.256 10 0 BGAERN O=C(CC1CCCC1)c1ccc2c(c1)COC2 ZINC000062331420 181893954 /nfs/dbraw/zinc/89/39/54/181893954.db2.gz ILUXEHAFZQPQHL-UHFFFAOYSA-N 0 0 230.307 3.480 10 0 BGAERN O=C(Cc1ccccc1)c1ccc2c(c1)COC2 ZINC000062331501 182044951 /nfs/dbraw/zinc/04/49/51/182044951.db2.gz ZSNWVJAJIZJBNS-UHFFFAOYSA-N 0 0 238.286 3.142 10 0 BGAERN Cc1ccc(C(=O)c2ccc3c(c2)COC3)s1 ZINC000062331713 187440002 /nfs/dbraw/zinc/44/00/02/187440002.db2.gz AABHTCAJBFQNPV-UHFFFAOYSA-N 0 0 244.315 3.318 10 0 BGAERN Cc1cc(N)ccc1-c1ccc2c(c1)COC2 ZINC000062334294 187957647 /nfs/dbraw/zinc/95/76/47/187957647.db2.gz NKBFASZMHDXTAC-UHFFFAOYSA-N 0 0 225.291 3.274 10 0 BGAERN O=Cc1ccc(-c2ccc3c(c2)COC3)cc1 ZINC000062334334 641039545 /nfs/dbraw/zinc/03/95/45/641039545.db2.gz WKUWKMMSYPFDJW-UHFFFAOYSA-N 0 0 224.259 3.196 10 0 BGAERN O=Cc1cccc(-c2ccc3c(c2)COC3)c1 ZINC000062334339 641039863 /nfs/dbraw/zinc/03/98/63/641039863.db2.gz QCROAPFPFZTXOP-UHFFFAOYSA-N 0 0 224.259 3.196 10 0 BGAERN O=Cc1ccccc1-c1ccc2c(c1)COC2 ZINC000062334343 641039531 /nfs/dbraw/zinc/03/95/31/641039531.db2.gz VXWUXHVUOSLLIX-UHFFFAOYSA-N 0 0 224.259 3.196 10 0 BGAERN Cc1cc([C@H](O)c2ccc3c(c2)COC3)c(C)o1 ZINC000062334505 178263679 /nfs/dbraw/zinc/26/36/79/178263679.db2.gz SVIGDBCEGWDEHY-OAHLLOKOSA-N 0 0 244.290 3.008 10 0 BGAERN Cc1cc([C@@H](O)c2ccc3c(c2)COC3)c(C)o1 ZINC000062334506 178239886 /nfs/dbraw/zinc/23/98/86/178239886.db2.gz SVIGDBCEGWDEHY-HNNXBMFYSA-N 0 0 244.290 3.008 10 0 BGAERN Cc1ncc(CSc2ccccc2N)s1 ZINC000062336795 180161928 /nfs/dbraw/zinc/16/19/28/180161928.db2.gz VJXWLSMUEKSPJD-UHFFFAOYSA-N 0 0 236.365 3.326 10 0 BGAERN Cc1ncc(CSc2ccc(N)cc2)s1 ZINC000062336800 180161418 /nfs/dbraw/zinc/16/14/18/180161418.db2.gz FJVNQSHNKUDAEC-UHFFFAOYSA-N 0 0 236.365 3.326 10 0 BGAERN Cc1ncc(COc2cccc([C@@H](C)O)c2)s1 ZINC000062336861 641039984 /nfs/dbraw/zinc/03/99/84/641039984.db2.gz MFNUGNIMRJRANW-SECBINFHSA-N 0 0 249.335 3.084 10 0 BGAERN Cc1ncc(COc2cccc([C@H](C)O)c2)s1 ZINC000062336862 180160230 /nfs/dbraw/zinc/16/02/30/180160230.db2.gz MFNUGNIMRJRANW-VIFPVBQESA-N 0 0 249.335 3.084 10 0 BGAERN CNc1ccc(OCc2cnc(C)s2)cc1 ZINC000062337269 173480604 /nfs/dbraw/zinc/48/06/04/173480604.db2.gz PWGGPQUYSAUTLS-UHFFFAOYSA-N 0 0 234.324 3.072 10 0 BGAERN Cc1cc(N)cc(C(=O)O[C@H](C)CC(C)C)c1C ZINC000062349629 187439761 /nfs/dbraw/zinc/43/97/61/187439761.db2.gz CLFXLOWNGVFSSS-LLVKDONJSA-N 0 0 249.354 3.477 10 0 BGAERN O=C(c1cscn1)c1ccc(Cl)cc1 ZINC000062354409 346242777 /nfs/dbraw/zinc/24/27/77/346242777.db2.gz NEEZNSFUJPJFFF-UHFFFAOYSA-N 0 0 223.684 3.028 10 0 BGAERN O=C(c1cscn1)c1ccc(Cl)s1 ZINC000062354452 346242796 /nfs/dbraw/zinc/24/27/96/346242796.db2.gz LOKLKDCRUMCDMB-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN CN[C@H](c1cscn1)c1ccc(Cl)s1 ZINC000062355553 385134544 /nfs/dbraw/zinc/13/45/44/385134544.db2.gz UFQBONLYGMJPLQ-SECBINFHSA-N 0 0 244.772 3.167 10 0 BGAERN CN[C@@H](c1cscn1)c1ccc(Cl)s1 ZINC000062355556 385134659 /nfs/dbraw/zinc/13/46/59/385134659.db2.gz UFQBONLYGMJPLQ-VIFPVBQESA-N 0 0 244.772 3.167 10 0 BGAERN CCN[C@H](c1cscn1)c1ccc(C)s1 ZINC000062355728 170164679 /nfs/dbraw/zinc/16/46/79/170164679.db2.gz RACLQBWEHGHCQA-LLVKDONJSA-N 0 0 238.381 3.212 10 0 BGAERN CCN[C@@H](c1cscn1)c1ccc(C)s1 ZINC000062355730 170149809 /nfs/dbraw/zinc/14/98/09/170149809.db2.gz RACLQBWEHGHCQA-NSHDSACASA-N 0 0 238.381 3.212 10 0 BGAERN CCN[C@H](c1cscn1)c1ccc(C)cc1 ZINC000062355795 170147298 /nfs/dbraw/zinc/14/72/98/170147298.db2.gz JBONYWBGIRMMDS-ZDUSSCGKSA-N 0 0 232.352 3.150 10 0 BGAERN CCN[C@@H](c1cscn1)c1ccc(C)cc1 ZINC000062355798 170163187 /nfs/dbraw/zinc/16/31/87/170163187.db2.gz JBONYWBGIRMMDS-CYBMUJFWSA-N 0 0 232.352 3.150 10 0 BGAERN C[C@H](O)c1nc2ccccc2n1-c1ccccc1 ZINC000062365710 177019042 /nfs/dbraw/zinc/01/90/42/177019042.db2.gz JPKVEBHVHLYMIF-NSHDSACASA-N 0 0 238.290 3.079 10 0 BGAERN C[C@@H](O)c1nc2ccccc2n1-c1ccccc1 ZINC000062365714 176000682 /nfs/dbraw/zinc/00/06/82/176000682.db2.gz JPKVEBHVHLYMIF-LLVKDONJSA-N 0 0 238.290 3.079 10 0 BGAERN CCCNc1ncnc2c1cnn2C(CC)CC ZINC000062367287 169297101 /nfs/dbraw/zinc/29/71/01/169297101.db2.gz WYCKFKISIAOJHQ-UHFFFAOYSA-N 0 0 247.346 3.009 10 0 BGAERN C[C@@H]1CCCCN1c1ccc(Cl)nc1 ZINC000062465306 132240144 /nfs/dbraw/zinc/24/01/44/132240144.db2.gz 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ZINC000062522665 180063710 /nfs/dbraw/zinc/06/37/10/180063710.db2.gz AXIXOUFWXGSOJK-UHFFFAOYSA-N 0 0 202.040 3.443 10 0 BGAERN Cc1nc2ccc(Cl)c(Cl)c2o1 ZINC000062522668 180091498 /nfs/dbraw/zinc/09/14/98/180091498.db2.gz XDGAWJGPRPTXDQ-UHFFFAOYSA-N 0 0 202.040 3.443 10 0 BGAERN Cc1nc2c(cc(Cl)cc2Cl)o1 ZINC000062522672 180063578 /nfs/dbraw/zinc/06/35/78/180063578.db2.gz QFECLXAGNRZEAX-UHFFFAOYSA-N 0 0 202.040 3.443 10 0 BGAERN CC(C)(C)c1ccc2c(c1)NCCCO2 ZINC000062523876 187834832 /nfs/dbraw/zinc/83/48/32/187834832.db2.gz DOMMEVFKLNFDSI-UHFFFAOYSA-N 0 0 205.301 3.179 10 0 BGAERN CCCCc1ccc2c(c1)NCCCO2 ZINC000062523886 169024600 /nfs/dbraw/zinc/02/46/00/169024600.db2.gz ISKJYJOKTBOSGB-UHFFFAOYSA-N 0 0 205.301 3.224 10 0 BGAERN CC(C)c1nc2cc(N)cc(Cl)c2o1 ZINC000062525314 167678049 /nfs/dbraw/zinc/67/80/49/167678049.db2.gz GFWUWOCIHZDYOV-UHFFFAOYSA-N 0 0 210.664 3.187 10 0 BGAERN c1ccc(-c2ccc3c(c2)NCCO3)cc1 ZINC000062525370 183379288 /nfs/dbraw/zinc/37/92/88/183379288.db2.gz PVPVQAUOEPGDIC-UHFFFAOYSA-N 0 0 211.264 3.158 10 0 BGAERN Fc1cc2nc(C3CC3)oc2cc1Cl ZINC000062525378 180955946 /nfs/dbraw/zinc/95/59/46/180955946.db2.gz AIGHMUUDCBYHKC-UHFFFAOYSA-N 0 0 211.623 3.498 10 0 BGAERN CC[C@@H]1COc2c(C)cc(Cl)cc2N1 ZINC000062525513 171113843 /nfs/dbraw/zinc/11/38/43/171113843.db2.gz GHOXRLOQFOTBKG-SECBINFHSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@@H]1COc2cc(Cl)c(C)cc2N1 ZINC000062525527 171113636 /nfs/dbraw/zinc/11/36/36/171113636.db2.gz UDUBCLBLAUVJFC-MRVPVSSYSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@H]1COc2cc(Cl)c(C)cc2N1 ZINC000062525533 171674951 /nfs/dbraw/zinc/67/49/51/171674951.db2.gz UDUBCLBLAUVJFC-QMMMGPOBSA-N 0 0 211.692 3.231 10 0 BGAERN Cc1cc2c(c(C)c1Cl)NC[C@H](C)O2 ZINC000062525552 178283578 /nfs/dbraw/zinc/28/35/78/178283578.db2.gz QBULMPQCBMYBRQ-ZETCQYMHSA-N 0 0 211.692 3.150 10 0 BGAERN Cc1cc2c(c(C)c1Cl)NC[C@@H](C)O2 ZINC000062525554 178283952 /nfs/dbraw/zinc/28/39/52/178283952.db2.gz QBULMPQCBMYBRQ-SSDOTTSWSA-N 0 0 211.692 3.150 10 0 BGAERN Cc1cc2c(c(C)c1Cl)N[C@H](C)CO2 ZINC000062525566 178283047 /nfs/dbraw/zinc/28/30/47/178283047.db2.gz YXQCRLDWEVQETL-SSDOTTSWSA-N 0 0 211.692 3.150 10 0 BGAERN Cc1cc2c(c(C)c1Cl)N[C@@H](C)CO2 ZINC000062525571 178283868 /nfs/dbraw/zinc/28/38/68/178283868.db2.gz YXQCRLDWEVQETL-ZETCQYMHSA-N 0 0 211.692 3.150 10 0 BGAERN Cc1cc2c(c(C)c1Cl)NCCCO2 ZINC000062525574 178282136 /nfs/dbraw/zinc/28/21/36/178282136.db2.gz REMCVOBZDPOABK-UHFFFAOYSA-N 0 0 211.692 3.151 10 0 BGAERN Cc1cc(Cl)cc2c1OC[C@H](C)CN2 ZINC000062525577 178065514 /nfs/dbraw/zinc/06/55/14/178065514.db2.gz AYIIZNBMSSEGDR-SSDOTTSWSA-N 0 0 211.692 3.089 10 0 BGAERN Cc1cc(Cl)cc2c1OC[C@@H](C)CN2 ZINC000062525584 178065204 /nfs/dbraw/zinc/06/52/04/178065204.db2.gz AYIIZNBMSSEGDR-ZETCQYMHSA-N 0 0 211.692 3.089 10 0 BGAERN Cc1cc2c(cc1Cl)OC[C@H](C)CN2 ZINC000062525588 178288484 /nfs/dbraw/zinc/28/84/84/178288484.db2.gz MZEVEPZPYBNXJL-SSDOTTSWSA-N 0 0 211.692 3.089 10 0 BGAERN Cc1cc2c(cc1Cl)OC[C@@H](C)CN2 ZINC000062525619 178289229 /nfs/dbraw/zinc/28/92/29/178289229.db2.gz MZEVEPZPYBNXJL-ZETCQYMHSA-N 0 0 211.692 3.089 10 0 BGAERN Cc1cc(Cl)cc2c1O[C@H](C)CCN2 ZINC000062525634 178065277 /nfs/dbraw/zinc/06/52/77/178065277.db2.gz VPPVRHYFPWEPFA-MRVPVSSYSA-N 0 0 211.692 3.231 10 0 BGAERN Cc1cc(Cl)cc2c1O[C@@H](C)CCN2 ZINC000062525639 178065616 /nfs/dbraw/zinc/06/56/16/178065616.db2.gz VPPVRHYFPWEPFA-QMMMGPOBSA-N 0 0 211.692 3.231 10 0 BGAERN Cc1cc2c(cc1Cl)O[C@H](C)CCN2 ZINC000062525643 178289292 /nfs/dbraw/zinc/28/92/92/178289292.db2.gz QFESSTWWZOXXLX-MRVPVSSYSA-N 0 0 211.692 3.231 10 0 BGAERN Cc1cc2c(cc1Cl)O[C@@H](C)CCN2 ZINC000062525646 178289200 /nfs/dbraw/zinc/28/92/00/178289200.db2.gz QFESSTWWZOXXLX-QMMMGPOBSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@@H]1CNc2cc(Cl)cc(C)c2O1 ZINC000062525670 171103547 /nfs/dbraw/zinc/10/35/47/171103547.db2.gz IWDWXYZZQRYQSU-SECBINFHSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@@H]1CNc2cc(C)c(Cl)cc2O1 ZINC000062525680 171102719 /nfs/dbraw/zinc/10/27/19/171102719.db2.gz WFRWCKOJRANOPL-MRVPVSSYSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@@H]1CNc2c(C)ccc(Cl)c2O1 ZINC000062525687 171103570 /nfs/dbraw/zinc/10/35/70/171103570.db2.gz JKJLKQWRYXDAOS-MRVPVSSYSA-N 0 0 211.692 3.231 10 0 BGAERN CC[C@H]1CNc2c(C)ccc(Cl)c2O1 ZINC000062525689 171669700 /nfs/dbraw/zinc/66/97/00/171669700.db2.gz JKJLKQWRYXDAOS-QMMMGPOBSA-N 0 0 211.692 3.231 10 0 BGAERN CC(C)[C@@H]1CNc2cccc(Cl)c2O1 ZINC000062525697 187361810 /nfs/dbraw/zinc/36/18/10/187361810.db2.gz JISLAVKYRHBJEX-JTQLQIEISA-N 0 0 211.692 3.169 10 0 BGAERN CC(C)[C@H]1CNc2cccc(Cl)c2O1 ZINC000062525702 167495439 /nfs/dbraw/zinc/49/54/39/167495439.db2.gz JISLAVKYRHBJEX-SNVBAGLBSA-N 0 0 211.692 3.169 10 0 BGAERN CC[C@@H]1COc2cc(Cl)c(F)cc2N1 ZINC000062526174 171113143 /nfs/dbraw/zinc/11/31/43/171113143.db2.gz LKAIVQCLKOBJSQ-ZCFIWIBFSA-N 0 0 215.655 3.062 10 0 BGAERN CC[C@H]1COc2cc(Cl)c(F)cc2N1 ZINC000062526178 171674760 /nfs/dbraw/zinc/67/47/60/171674760.db2.gz LKAIVQCLKOBJSQ-LURJTMIESA-N 0 0 215.655 3.062 10 0 BGAERN C[C@@H]1CCNc2cc(F)c(Cl)cc2O1 ZINC000062526193 176187207 /nfs/dbraw/zinc/18/72/07/176187207.db2.gz DZLJRIUQXGRJEZ-ZCFIWIBFSA-N 0 0 215.655 3.062 10 0 BGAERN C[C@H]1CCNc2cc(F)c(Cl)cc2O1 ZINC000062526198 177176637 /nfs/dbraw/zinc/17/66/37/177176637.db2.gz DZLJRIUQXGRJEZ-LURJTMIESA-N 0 0 215.655 3.062 10 0 BGAERN Cc1nc2c(o1)c(Cl)c(N)cc2Cl ZINC000062526401 180063696 /nfs/dbraw/zinc/06/36/96/180063696.db2.gz VBLIMKYYMNGWDZ-UHFFFAOYSA-N 0 0 217.055 3.025 10 0 BGAERN Cc1nc2cc(N)c(Cl)c(Cl)c2o1 ZINC000062526403 180082533 /nfs/dbraw/zinc/08/25/33/180082533.db2.gz NYUGJTDPFXEADA-UHFFFAOYSA-N 0 0 217.055 3.025 10 0 BGAERN Cc1nc2c(cc(Cl)c(N)c2Cl)o1 ZINC000062526407 180063239 /nfs/dbraw/zinc/06/32/39/180063239.db2.gz QVPWHATYEAZXPP-UHFFFAOYSA-N 0 0 217.055 3.025 10 0 BGAERN Cc1nc2c(o1)c(N)c(Cl)cc2Cl ZINC000062526412 180063465 /nfs/dbraw/zinc/06/34/65/180063465.db2.gz XIEXVWCGFAVTFU-UHFFFAOYSA-N 0 0 217.055 3.025 10 0 BGAERN CNc1nc2c(o1)c(Cl)ccc2Cl ZINC000062526435 173487354 /nfs/dbraw/zinc/48/73/54/173487354.db2.gz GXFAAIPAWJMJCF-UHFFFAOYSA-N 0 0 217.055 3.176 10 0 BGAERN CNc1nc2c(cc(Cl)cc2Cl)o1 ZINC000062526452 173487487 /nfs/dbraw/zinc/48/74/87/173487487.db2.gz YGIAPDJONJWAQJ-UHFFFAOYSA-N 0 0 217.055 3.176 10 0 BGAERN C[C@@H]1CNc2cc(Cl)cc(Cl)c2O1 ZINC000062526754 188223607 /nfs/dbraw/zinc/22/36/07/188223607.db2.gz OJEJBAUTMVLJBH-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@H]1CNc2cc(Cl)cc(Cl)c2O1 ZINC000062526759 177287338 /nfs/dbraw/zinc/28/73/38/177287338.db2.gz OJEJBAUTMVLJBH-YFKPBYRVSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@@H]1COc2cc(Cl)c(Cl)cc2N1 ZINC000062526766 176348200 /nfs/dbraw/zinc/34/82/00/176348200.db2.gz UOWHNLAHKOFAHO-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@@H]1COc2c(Cl)cc(Cl)cc2N1 ZINC000062526773 176347808 /nfs/dbraw/zinc/34/78/08/176347808.db2.gz ZJDHFUJRUVEMDG-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@H]1COc2c(Cl)cc(Cl)cc2N1 ZINC000062526778 187361658 /nfs/dbraw/zinc/36/16/58/187361658.db2.gz ZJDHFUJRUVEMDG-YFKPBYRVSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@H]1CNc2c(Cl)ccc(Cl)c2O1 ZINC000062526795 188582518 /nfs/dbraw/zinc/58/25/18/188582518.db2.gz IIWKOUVLYNPBIR-YFKPBYRVSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@H]1CNc2ccc(Cl)c(Cl)c2O1 ZINC000062526804 177287529 /nfs/dbraw/zinc/28/75/29/177287529.db2.gz PEOIHOMMHFDNJE-YFKPBYRVSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@@H]1COc2c(Cl)ccc(Cl)c2N1 ZINC000062526817 176348316 /nfs/dbraw/zinc/34/83/16/176348316.db2.gz KRZYDTVUGYNJPQ-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@@H]1COc2c(Cl)c(Cl)ccc2N1 ZINC000062526823 176347794 /nfs/dbraw/zinc/34/77/94/176347794.db2.gz FGUTVBYBIWTORT-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@H]1COc2c(Cl)c(Cl)ccc2N1 ZINC000062526828 187361853 /nfs/dbraw/zinc/36/18/53/187361853.db2.gz FGUTVBYBIWTORT-YFKPBYRVSA-N 0 0 218.083 3.186 10 0 BGAERN C[C@@H]1COc2cc(Cl)cc(Cl)c2N1 ZINC000062526831 176348225 /nfs/dbraw/zinc/34/82/25/176348225.db2.gz DPPRHCOMPXCETH-RXMQYKEDSA-N 0 0 218.083 3.186 10 0 BGAERN Clc1cc(Cl)c2c(c1)NCCCO2 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226.073 3.207 10 0 BGAERN Cc1nc2cc(Br)cc(C)c2o1 ZINC000062529152 180075441 /nfs/dbraw/zinc/07/54/41/180075441.db2.gz MFAZDMPTFFLGIS-UHFFFAOYSA-N 0 0 226.073 3.207 10 0 BGAERN Cc1nc2cc(Br)cc(F)c2o1 ZINC000062529796 180076532 /nfs/dbraw/zinc/07/65/32/180076532.db2.gz VLOFLLXXTZYKBM-UHFFFAOYSA-N 0 0 230.036 3.038 10 0 BGAERN CCc1nc2cc(N)c(Cl)c(Cl)c2o1 ZINC000062530047 172010254 /nfs/dbraw/zinc/01/02/54/172010254.db2.gz VCHHIOPLBAVWQD-UHFFFAOYSA-N 0 0 231.082 3.279 10 0 BGAERN CCc1nc2c(cc(Cl)c(N)c2Cl)o1 ZINC000062530049 172009563 /nfs/dbraw/zinc/00/95/63/172009563.db2.gz FBBAWGIHGQOJBS-UHFFFAOYSA-N 0 0 231.082 3.279 10 0 BGAERN CCc1nc2c(o1)c(N)c(Cl)cc2Cl ZINC000062530052 172009273 /nfs/dbraw/zinc/00/92/73/172009273.db2.gz GQKYKZYSPFOMFC-UHFFFAOYSA-N 0 0 231.082 3.279 10 0 BGAERN CC[C@@H]1CNc2cc(C(F)(F)F)ccc2O1 ZINC000062530165 171103454 /nfs/dbraw/zinc/10/34/54/171103454.db2.gz LZTGRUCAWBXDIC-MRVPVSSYSA-N 0 0 231.217 3.288 10 0 BGAERN CC[C@H]1CNc2cc(C(F)(F)F)ccc2O1 ZINC000062530168 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347171313 /nfs/dbraw/zinc/17/13/13/347171313.db2.gz IYOZUNRRYHONNY-LBPRGKRZSA-N 0 0 212.358 3.422 10 0 BGAERN Nc1cnc2c(Cl)ccc(Cl)c2c1 ZINC000062864162 343745251 /nfs/dbraw/zinc/74/52/51/343745251.db2.gz WYSPGXMHEZRALS-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Nc1cnc2c(Cl)cc(Cl)cc2c1 ZINC000062864163 385193815 /nfs/dbraw/zinc/19/38/15/385193815.db2.gz SICWAQYNDBSSAD-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Nc1cnc2c(ccc(Cl)c2Cl)c1 ZINC000062864164 386529667 /nfs/dbraw/zinc/52/96/67/386529667.db2.gz JBAVBDPLOQJOIC-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Cc1ccc(-c2ccc3c(c2)CCN3)cn1 ZINC000062948304 539017301 /nfs/dbraw/zinc/01/73/01/539017301.db2.gz WKTYPSAMPAOUBV-UHFFFAOYSA-N 0 0 210.280 3.025 10 0 BGAERN Cc1ccc([C@H](O)CCc2ccccc2)cn1 ZINC000062949604 178912284 /nfs/dbraw/zinc/91/22/84/178912284.db2.gz DCFQECQCWPORNZ-OAHLLOKOSA-N 0 0 227.307 3.056 10 0 BGAERN Cc1cc(C)cc(C[C@@H](O)c2ccc(C)nc2)c1 ZINC000062949658 187784869 /nfs/dbraw/zinc/78/48/69/187784869.db2.gz 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BGAERN CC[C@@H](c1nc2ccccc2s1)[C@H](C)O ZINC000063038188 350787445 /nfs/dbraw/zinc/78/74/45/350787445.db2.gz BXFHFQDJBCFHTJ-DTWKUNHWSA-N 0 0 221.325 3.171 10 0 BGAERN CC[C@H](c1nc2ccccc2s1)[C@H](C)O ZINC000063038189 386567462 /nfs/dbraw/zinc/56/74/62/386567462.db2.gz BXFHFQDJBCFHTJ-IUCAKERBSA-N 0 0 221.325 3.171 10 0 BGAERN CCC[C@H](O)Cc1ccccc1C(F)(F)F ZINC000063038592 350787550 /nfs/dbraw/zinc/78/75/50/350787550.db2.gz PTAOBCJIHOYDOO-JTQLQIEISA-N 0 0 232.245 3.409 10 0 BGAERN CCC[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000063038593 350787556 /nfs/dbraw/zinc/78/75/56/350787556.db2.gz PTAOBCJIHOYDOO-SNVBAGLBSA-N 0 0 232.245 3.409 10 0 BGAERN CC(C)(C)[C@@H](O)Cc1ccnc2ccccc12 ZINC000063038811 166699537 /nfs/dbraw/zinc/69/95/37/166699537.db2.gz RCUSCCQXYFSJLV-AWEZNQCLSA-N 0 0 229.323 3.184 10 0 BGAERN CCC(=O)Nc1cccc(NCc2ccoc2)c1 ZINC000063046726 168245799 /nfs/dbraw/zinc/24/57/99/168245799.db2.gz SHIRWAQPHQSZPD-UHFFFAOYSA-N 0 0 244.294 3.240 10 0 BGAERN CCCc1cc(Cl)nc(-c2ccoc2)n1 ZINC000063046744 350813417 /nfs/dbraw/zinc/81/34/17/350813417.db2.gz NTFFYGMMZUEQNL-UHFFFAOYSA-N 0 0 222.675 3.343 10 0 BGAERN Cc1nc(-c2ccoc2)nc(Cl)c1C ZINC000063046750 350813397 /nfs/dbraw/zinc/81/33/97/350813397.db2.gz MNZVXKNKFISGRS-UHFFFAOYSA-N 0 0 208.648 3.007 10 0 BGAERN CCc1c(C)nc(-c2ccoc2)nc1Cl ZINC000063046751 350813639 /nfs/dbraw/zinc/81/36/39/350813639.db2.gz PLMSOHUNVCUGBS-UHFFFAOYSA-N 0 0 222.675 3.261 10 0 BGAERN CCCc1cc(NCC)nc(-c2ccoc2)n1 ZINC000063046915 169566675 /nfs/dbraw/zinc/56/66/75/169566675.db2.gz PNMZKCLIEXIVEY-UHFFFAOYSA-N 0 0 231.299 3.121 10 0 BGAERN CCCNc1nc(-c2ccoc2)nc2c1CCC2 ZINC000063046953 169296006 /nfs/dbraw/zinc/29/60/06/169296006.db2.gz HHHOYHKYHIQCLS-UHFFFAOYSA-N 0 0 243.310 3.047 10 0 BGAERN c1cc(CNc2ccc(-c3c[nH]cn3)cc2)co1 ZINC000063047186 183525724 /nfs/dbraw/zinc/52/57/24/183525724.db2.gz IANJNLSEUWRJMM-UHFFFAOYSA-N 0 0 239.278 3.282 10 0 BGAERN c1cc(-c2ccc(NCc3ccoc3)cc2)n[nH]1 ZINC000063047249 183329337 /nfs/dbraw/zinc/32/93/37/183329337.db2.gz 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178325736 /nfs/dbraw/zinc/32/57/36/178325736.db2.gz GRSOXVYEEVZJKZ-UHFFFAOYSA-N 0 0 218.227 3.212 10 0 BGAERN Cc1ccc(-c2cc(F)ccc2O)cc1O ZINC000065340314 178322038 /nfs/dbraw/zinc/32/20/38/178322038.db2.gz FVFZSHRXBAJDOZ-UHFFFAOYSA-N 0 0 218.227 3.212 10 0 BGAERN Cc1ccc(-c2csc(C=O)c2)cc1O ZINC000065340317 178329768 /nfs/dbraw/zinc/32/97/68/178329768.db2.gz QVLJSMQLKFZWEJ-UHFFFAOYSA-N 0 0 218.277 3.242 10 0 BGAERN Cc1cc(O)cc(-c2csc(C=O)c2)c1 ZINC000065340318 187273969 /nfs/dbraw/zinc/27/39/69/187273969.db2.gz PAYLLCLDAOMVMD-UHFFFAOYSA-N 0 0 218.277 3.242 10 0 BGAERN Cc1ccc(-c2ccc(C=O)s2)cc1O ZINC000065340320 178324157 /nfs/dbraw/zinc/32/41/57/178324157.db2.gz BTHFKRFMNPUHJK-UHFFFAOYSA-N 0 0 218.277 3.242 10 0 BGAERN Cc1cc(O)cc(-c2ccc(C=O)s2)c1 ZINC000065340321 188304081 /nfs/dbraw/zinc/30/40/81/188304081.db2.gz DNQJLOKVHNUKRC-UHFFFAOYSA-N 0 0 218.277 3.242 10 0 BGAERN Cc1ccc(-c2ccc3c(c2)OCO3)cc1O ZINC000065340370 178325229 /nfs/dbraw/zinc/32/52/29/178325229.db2.gz 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183255762 /nfs/dbraw/zinc/25/57/62/183255762.db2.gz JTEXSNFKQPJGFS-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1ccc(-c2ccc(O)c(F)c2)c(F)c1 ZINC000065340791 183264360 /nfs/dbraw/zinc/26/43/60/183264360.db2.gz FWOXHCIIMYAJFN-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1cc(F)cc(-c2ccc(O)c(F)c2)c1 ZINC000065340792 183258682 /nfs/dbraw/zinc/25/86/82/183258682.db2.gz PARKTXWOHFYEFV-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1cc(F)cc(-c2ccc(F)c(O)c2)c1 ZINC000065340793 183259436 /nfs/dbraw/zinc/25/94/36/183259436.db2.gz ONMMNQXUYMGYFN-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1ccc(-c2cc(O)cc(F)c2)c(F)c1 ZINC000065340794 183257793 /nfs/dbraw/zinc/25/77/93/183257793.db2.gz XHYKVQSMDYQJSY-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1cc(F)cc(-c2cc(O)cc(F)c2)c1 ZINC000065340795 183258727 /nfs/dbraw/zinc/25/87/27/183258727.db2.gz GRPOYTDSJYSAFJ-UHFFFAOYSA-N 0 0 222.190 3.043 10 0 BGAERN Oc1ccc(-c2ccc(F)cc2O)cc1F ZINC000065340796 183263889 /nfs/dbraw/zinc/26/38/89/183263889.db2.gz 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/nfs/dbraw/zinc/80/58/98/342805898.db2.gz UILXTJCIARSCLH-SSDOTTSWSA-N 0 0 225.723 3.039 10 0 BGAERN Cc1nnc(Cl)n1[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000069677609 373585672 /nfs/dbraw/zinc/58/56/72/373585672.db2.gz CMTDHOJDFKSMPP-OYNCUSHFSA-N 0 0 227.739 3.237 10 0 BGAERN Cc1nnc(Cl)n1[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000069677617 373584570 /nfs/dbraw/zinc/58/45/70/373584570.db2.gz CMTDHOJDFKSMPP-KHQFGBGNSA-N 0 0 227.739 3.237 10 0 BGAERN CC(C)[C@@H](C)c1nnc(Br)s1 ZINC000069692093 359791210 /nfs/dbraw/zinc/79/12/10/359791210.db2.gz IRSATHWQJSRFPH-RXMQYKEDSA-N 0 0 235.150 3.060 10 0 BGAERN CC(C)[C@H](C)c1nnc(Br)s1 ZINC000069692095 359792237 /nfs/dbraw/zinc/79/22/37/359792237.db2.gz IRSATHWQJSRFPH-YFKPBYRVSA-N 0 0 235.150 3.060 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)c2ccc(C)cc2)o1 ZINC000069721566 384058597 /nfs/dbraw/zinc/05/85/97/384058597.db2.gz SSQVPXFSIAXHSG-LBPRGKRZSA-N 0 0 243.306 3.387 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)cc2)o1 ZINC000069721567 384057378 /nfs/dbraw/zinc/05/73/78/384057378.db2.gz SSQVPXFSIAXHSG-GFCCVEGCSA-N 0 0 243.306 3.387 10 0 BGAERN Nc1ccccc1-c1c(F)cccc1F ZINC000069758768 384062192 /nfs/dbraw/zinc/06/21/92/384062192.db2.gz DXMJVEDCYGZYQB-UHFFFAOYSA-N 0 0 205.207 3.214 10 0 BGAERN O=Cc1ccccc1-c1c(F)cccc1F ZINC000069758780 187420916 /nfs/dbraw/zinc/42/09/16/187420916.db2.gz OTYYBLYLNOBNCV-UHFFFAOYSA-N 0 0 218.202 3.444 10 0 BGAERN CC[C@@H](C)[C@H](O)c1c(F)cccc1F ZINC000069758869 360394643 /nfs/dbraw/zinc/39/46/43/360394643.db2.gz MLEGRINNASUGCH-HQJQHLMTSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@H](O)c1c(F)cccc1F ZINC000069758870 360394889 /nfs/dbraw/zinc/39/48/89/360394889.db2.gz MLEGRINNASUGCH-CPCISQLKSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@@H](C)[C@@H](O)c1c(F)cccc1F ZINC000069758871 360394845 /nfs/dbraw/zinc/39/48/45/360394845.db2.gz MLEGRINNASUGCH-RDDDGLTNSA-N 0 0 200.228 3.044 10 0 BGAERN CC[C@H](C)[C@@H](O)c1c(F)cccc1F ZINC000069758872 360394686 /nfs/dbraw/zinc/39/46/86/360394686.db2.gz MLEGRINNASUGCH-WRWORJQWSA-N 0 0 200.228 3.044 10 0 BGAERN CCCC[C@H](O)c1c(F)cccc1F ZINC000069758884 360394482 /nfs/dbraw/zinc/39/44/82/360394482.db2.gz IYEUYDUNNFGXKU-JTQLQIEISA-N 0 0 200.228 3.188 10 0 BGAERN CCCC[C@@H](O)c1c(F)cccc1F ZINC000069758885 360394538 /nfs/dbraw/zinc/39/45/38/360394538.db2.gz IYEUYDUNNFGXKU-SNVBAGLBSA-N 0 0 200.228 3.188 10 0 BGAERN O=C(c1ccsc1)c1c(F)cccc1F ZINC000069758949 360394959 /nfs/dbraw/zinc/39/49/59/360394959.db2.gz YNDQLAYVMUEVRT-UHFFFAOYSA-N 0 0 224.231 3.257 10 0 BGAERN O=C(CC(F)(F)F)c1c(F)cccc1F ZINC000069758961 360394726 /nfs/dbraw/zinc/39/47/26/360394726.db2.gz NDHJSXUNIDFCSG-UHFFFAOYSA-N 0 0 224.128 3.100 10 0 BGAERN O=C1CCCC[C@H]1c1c(F)cccc1F ZINC000069759150 342839490 /nfs/dbraw/zinc/83/94/90/342839490.db2.gz PKUJHNQTJPXUEJ-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCCC[C@@H]1c1c(F)cccc1F ZINC000069759151 360395508 /nfs/dbraw/zinc/39/55/08/360395508.db2.gz PKUJHNQTJPXUEJ-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN 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373730650 /nfs/dbraw/zinc/73/06/50/373730650.db2.gz OAROHMCPWBOCIS-NSHDSACASA-N 0 0 208.326 3.440 10 0 BGAERN O=C1CCCC[C@@H]1CCc1ccsc1 ZINC000069765161 373730705 /nfs/dbraw/zinc/73/07/05/373730705.db2.gz OAROHMCPWBOCIS-LLVKDONJSA-N 0 0 208.326 3.440 10 0 BGAERN Cc1cccc(N[C@@H](C)C2CCCC2)n1 ZINC000069805463 343292451 /nfs/dbraw/zinc/29/24/51/343292451.db2.gz SKBQZJPIMWNRQR-NSHDSACASA-N 0 0 204.317 3.381 10 0 BGAERN Cc1cccc(N[C@H](C)C2CCCC2)n1 ZINC000069805466 343292378 /nfs/dbraw/zinc/29/23/78/343292378.db2.gz SKBQZJPIMWNRQR-LLVKDONJSA-N 0 0 204.317 3.381 10 0 BGAERN CCc1nnc(Cl)n1[C@@H](C)C1CCCC1 ZINC000069805930 360562081 /nfs/dbraw/zinc/56/20/81/360562081.db2.gz DMLJUPBOQKJUHB-QMMMGPOBSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@H](C)C1CCCC1 ZINC000069805931 360562064 /nfs/dbraw/zinc/56/20/64/360562064.db2.gz DMLJUPBOQKJUHB-MRVPVSSYSA-N 0 0 227.739 3.245 10 0 BGAERN Cc1ccc(CNc2ccccn2)c(C)c1 ZINC000069831466 383847043 /nfs/dbraw/zinc/84/70/43/383847043.db2.gz 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345249392 /nfs/dbraw/zinc/24/93/92/345249392.db2.gz CVDVQCDIEXUGGT-UHFFFAOYSA-N 0 0 246.278 3.224 10 0 BGAERN CSCCC(=O)c1cccc(Cl)c1 ZINC000069984379 345249323 /nfs/dbraw/zinc/24/93/23/345249323.db2.gz LWJDXBSPMZQLKF-UHFFFAOYSA-N 0 0 214.717 3.276 10 0 BGAERN CSCCC(=O)c1ccc(F)c(C)c1 ZINC000069984386 374108092 /nfs/dbraw/zinc/10/80/92/374108092.db2.gz MEEMCGAAIDGHFS-UHFFFAOYSA-N 0 0 212.289 3.070 10 0 BGAERN CSCCC(=O)c1cccc(OC(C)C)c1 ZINC000069984392 374106412 /nfs/dbraw/zinc/10/64/12/374106412.db2.gz NMNJYAPIXRNXOC-UHFFFAOYSA-N 0 0 238.352 3.410 10 0 BGAERN CSCCC(=O)c1ccc(C)c(F)c1 ZINC000069984410 345249748 /nfs/dbraw/zinc/24/97/48/345249748.db2.gz TYZQGCAYAZLLPG-UHFFFAOYSA-N 0 0 212.289 3.070 10 0 BGAERN CSCCC(=O)c1ccc(C)c(C)c1 ZINC000069984416 374106696 /nfs/dbraw/zinc/10/66/96/374106696.db2.gz QWFWTJGGCCORLK-UHFFFAOYSA-N 0 0 208.326 3.239 10 0 BGAERN COc1ccc(Cl)cc1C(=O)CCSC ZINC000069984417 374106600 /nfs/dbraw/zinc/10/66/00/374106600.db2.gz FXBKRSSUAXLOES-UHFFFAOYSA-N 0 0 244.743 3.284 10 0 BGAERN CSCC(=O)c1csc2ccccc12 ZINC000069984502 374106497 /nfs/dbraw/zinc/10/64/97/374106497.db2.gz CTKFSRASQOEROO-UHFFFAOYSA-N 0 0 222.334 3.447 10 0 BGAERN CSCC(=O)c1cc2cc(C)ccc2o1 ZINC000069984505 374106725 /nfs/dbraw/zinc/10/67/25/374106725.db2.gz XPSUNNHZXWSVCP-UHFFFAOYSA-N 0 0 220.293 3.287 10 0 BGAERN CSCC(=O)c1cc2c(s1)CCCC2 ZINC000069984529 374108398 /nfs/dbraw/zinc/10/83/98/374108398.db2.gz VCTULHNIRBPGOS-UHFFFAOYSA-N 0 0 226.366 3.173 10 0 BGAERN CSCC(=O)c1cc2ccccc2s1 ZINC000069984535 374108465 /nfs/dbraw/zinc/10/84/65/374108465.db2.gz KSVMBCHMZCDNTG-UHFFFAOYSA-N 0 0 222.334 3.447 10 0 BGAERN CSCC(=O)c1ccc(F)cc1Cl ZINC000069984602 374108543 /nfs/dbraw/zinc/10/85/43/374108543.db2.gz SKCTYPWCVAEOQT-UHFFFAOYSA-N 0 0 218.680 3.025 10 0 BGAERN CSCC(=O)c1ccc(Cl)cc1F ZINC000069984611 374108267 /nfs/dbraw/zinc/10/82/67/374108267.db2.gz OTCFOTUSULETFT-UHFFFAOYSA-N 0 0 218.680 3.025 10 0 BGAERN Cc1ccc(C(=O)[C@@H]2CCCS2)c(C)c1 ZINC000069984710 374108191 /nfs/dbraw/zinc/10/81/91/374108191.db2.gz NFPMYICAQNWGHE-LBPRGKRZSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1ccc(C(=O)[C@H]2CCCS2)c(C)c1 ZINC000069984711 343946360 /nfs/dbraw/zinc/94/63/60/343946360.db2.gz NFPMYICAQNWGHE-GFCCVEGCSA-N 0 0 220.337 3.382 10 0 BGAERN O=C(c1cc(F)cc(F)c1)[C@@H]1CCCS1 ZINC000069984733 374107798 /nfs/dbraw/zinc/10/77/98/374107798.db2.gz MAOXPEXIUUWJBX-JTQLQIEISA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1cc(F)cc(F)c1)[C@H]1CCCS1 ZINC000069984735 374108374 /nfs/dbraw/zinc/10/83/74/374108374.db2.gz MAOXPEXIUUWJBX-SNVBAGLBSA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1ccccc1Cl)[C@@H]1CCCS1 ZINC000069984745 374107896 /nfs/dbraw/zinc/10/78/96/374107896.db2.gz JYMTYFZCWLXLFD-JTQLQIEISA-N 0 0 226.728 3.418 10 0 BGAERN O=C(c1ccccc1Cl)[C@H]1CCCS1 ZINC000069984748 374108521 /nfs/dbraw/zinc/10/85/21/374108521.db2.gz JYMTYFZCWLXLFD-SNVBAGLBSA-N 0 0 226.728 3.418 10 0 BGAERN Cc1cc(C)cc(C(=O)[C@@H]2CCCS2)c1 ZINC000069984770 374107952 /nfs/dbraw/zinc/10/79/52/374107952.db2.gz JIOPYWBRQWBCQY-LBPRGKRZSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1cc(C)cc(C(=O)[C@H]2CCCS2)c1 ZINC000069984771 374107935 /nfs/dbraw/zinc/10/79/35/374107935.db2.gz JIOPYWBRQWBCQY-GFCCVEGCSA-N 0 0 220.337 3.382 10 0 BGAERN O=C(c1ccc(Cl)s1)[C@@H]1CCCS1 ZINC000069984826 343946365 /nfs/dbraw/zinc/94/63/65/343946365.db2.gz OOELXPPGHLFREW-LURJTMIESA-N 0 0 232.757 3.480 10 0 BGAERN O=C(c1ccc(Cl)s1)[C@H]1CCCS1 ZINC000069984827 374101953 /nfs/dbraw/zinc/10/19/53/374101953.db2.gz OOELXPPGHLFREW-ZCFIWIBFSA-N 0 0 232.757 3.480 10 0 BGAERN Cc1ccccc1C(=O)[C@@H]1CCCS1 ZINC000069984859 374108389 /nfs/dbraw/zinc/10/83/89/374108389.db2.gz PKNYBBPNKNWEFX-NSHDSACASA-N 0 0 206.310 3.073 10 0 BGAERN Cc1ccccc1C(=O)[C@H]1CCCS1 ZINC000069984861 374108332 /nfs/dbraw/zinc/10/83/32/374108332.db2.gz PKNYBBPNKNWEFX-LLVKDONJSA-N 0 0 206.310 3.073 10 0 BGAERN O=C(CC1CCCCC1)[C@@H]1CCCS1 ZINC000069984930 361319147 /nfs/dbraw/zinc/31/91/47/361319147.db2.gz ROSHXZRDKLLMBE-LBPRGKRZSA-N 0 0 212.358 3.422 10 0 BGAERN O=C(CC1CCCCC1)[C@H]1CCCS1 ZINC000069984932 361319117 /nfs/dbraw/zinc/31/91/17/361319117.db2.gz ROSHXZRDKLLMBE-GFCCVEGCSA-N 0 0 212.358 3.422 10 0 BGAERN Cc1ccc(C(=O)[C@@H]2CCCS2)s1 ZINC000069984964 361318690 /nfs/dbraw/zinc/31/86/90/361318690.db2.gz UDJGCCOFLUOVFB-QMMMGPOBSA-N 0 0 212.339 3.135 10 0 BGAERN Cc1ccc(C(=O)[C@H]2CCCS2)s1 ZINC000069984966 361319180 /nfs/dbraw/zinc/31/91/80/361319180.db2.gz UDJGCCOFLUOVFB-MRVPVSSYSA-N 0 0 212.339 3.135 10 0 BGAERN O=C(c1cccc(F)c1F)[C@@H]1CCCS1 ZINC000069984987 361318982 /nfs/dbraw/zinc/31/89/82/361318982.db2.gz PWVLJCBPKRVMPE-VIFPVBQESA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1cccc(F)c1F)[C@H]1CCCS1 ZINC000069984989 361318761 /nfs/dbraw/zinc/31/87/61/361318761.db2.gz PWVLJCBPKRVMPE-SECBINFHSA-N 0 0 228.263 3.043 10 0 BGAERN O=C([C@@H]1CCCS1)C1CCCCCC1 ZINC000069984992 361319133 /nfs/dbraw/zinc/31/91/33/361319133.db2.gz PZNDACFZTOISIO-NSHDSACASA-N 0 0 212.358 3.422 10 0 BGAERN O=C([C@H]1CCCS1)C1CCCCCC1 ZINC000069984993 361319209 /nfs/dbraw/zinc/31/92/09/361319209.db2.gz PZNDACFZTOISIO-LLVKDONJSA-N 0 0 212.358 3.422 10 0 BGAERN Cc1cccc(C(=O)[C@@H]2CCCS2)c1C ZINC000069985051 361318948 /nfs/dbraw/zinc/31/89/48/361318948.db2.gz ZPLASQXGWILOET-LBPRGKRZSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1cccc(C(=O)[C@H]2CCCS2)c1C ZINC000069985053 361318976 /nfs/dbraw/zinc/31/89/76/361318976.db2.gz ZPLASQXGWILOET-GFCCVEGCSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1ccsc1C(=O)[C@@H]1CCCS1 ZINC000069985055 361319203 /nfs/dbraw/zinc/31/92/03/361319203.db2.gz JHFVWYAZPKPLLL-QMMMGPOBSA-N 0 0 212.339 3.135 10 0 BGAERN Cc1ccsc1C(=O)[C@H]1CCCS1 ZINC000069985057 361318920 /nfs/dbraw/zinc/31/89/20/361318920.db2.gz JHFVWYAZPKPLLL-MRVPVSSYSA-N 0 0 212.339 3.135 10 0 BGAERN Cc1ccc(C)c(C(=O)[C@@H]2CCCS2)c1 ZINC000069985066 361319017 /nfs/dbraw/zinc/31/90/17/361319017.db2.gz MBGDNVVPPRBNRX-LBPRGKRZSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1ccc(C)c(C(=O)[C@H]2CCCS2)c1 ZINC000069985068 361318883 /nfs/dbraw/zinc/31/88/83/361318883.db2.gz MBGDNVVPPRBNRX-GFCCVEGCSA-N 0 0 220.337 3.382 10 0 BGAERN O=C(c1cc(F)ccc1F)[C@@H]1CCCS1 ZINC000069985103 361320299 /nfs/dbraw/zinc/32/02/99/361320299.db2.gz VPASOOWJCUZUDA-JTQLQIEISA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1cc(F)ccc1F)[C@H]1CCCS1 ZINC000069985105 361320303 /nfs/dbraw/zinc/32/03/03/361320303.db2.gz VPASOOWJCUZUDA-SNVBAGLBSA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1cccc(Cl)c1)[C@@H]1CCCS1 ZINC000069985127 361319853 /nfs/dbraw/zinc/31/98/53/361319853.db2.gz AKDBFEDVGMXZBT-JTQLQIEISA-N 0 0 226.728 3.418 10 0 BGAERN O=C(c1cccc(Cl)c1)[C@H]1CCCS1 ZINC000069985128 361320331 /nfs/dbraw/zinc/32/03/31/361320331.db2.gz AKDBFEDVGMXZBT-SNVBAGLBSA-N 0 0 226.728 3.418 10 0 BGAERN O=C(c1ccc(F)cc1F)[C@@H]1CCCS1 ZINC000069985152 361320146 /nfs/dbraw/zinc/32/01/46/361320146.db2.gz NXYYEHCHTDTDOV-JTQLQIEISA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1ccc(F)cc1F)[C@H]1CCCS1 ZINC000069985154 361320250 /nfs/dbraw/zinc/32/02/50/361320250.db2.gz NXYYEHCHTDTDOV-SNVBAGLBSA-N 0 0 228.263 3.043 10 0 BGAERN Cc1cccc(C(=O)[C@@H]2CCCS2)c1 ZINC000069985157 361320013 /nfs/dbraw/zinc/32/00/13/361320013.db2.gz CAMFJFKNVWZRAU-NSHDSACASA-N 0 0 206.310 3.073 10 0 BGAERN Cc1cccc(C(=O)[C@H]2CCCS2)c1 ZINC000069985158 361320325 /nfs/dbraw/zinc/32/03/25/361320325.db2.gz CAMFJFKNVWZRAU-LLVKDONJSA-N 0 0 206.310 3.073 10 0 BGAERN Cc1ccc(C(=O)[C@@H]2CCCS2)cc1F ZINC000069985172 361320316 /nfs/dbraw/zinc/32/03/16/361320316.db2.gz AXVXLWDJZQCGTH-NSHDSACASA-N 0 0 224.300 3.212 10 0 BGAERN Cc1ccc(C(=O)[C@H]2CCCS2)cc1F ZINC000069985173 361320314 /nfs/dbraw/zinc/32/03/14/361320314.db2.gz AXVXLWDJZQCGTH-LLVKDONJSA-N 0 0 224.300 3.212 10 0 BGAERN Cc1ccc(C(=O)[C@@H]2CCCS2)cc1C ZINC000069985190 361319887 /nfs/dbraw/zinc/31/98/87/361319887.db2.gz CRRMSUSQDJDTFX-LBPRGKRZSA-N 0 0 220.337 3.382 10 0 BGAERN Cc1ccc(C(=O)[C@H]2CCCS2)cc1C ZINC000069985193 361319697 /nfs/dbraw/zinc/31/96/97/361319697.db2.gz CRRMSUSQDJDTFX-GFCCVEGCSA-N 0 0 220.337 3.382 10 0 BGAERN O=C(c1ccc(F)c(F)c1)[C@@H]1CCCS1 ZINC000069985200 361320032 /nfs/dbraw/zinc/32/00/32/361320032.db2.gz QCIMZLPPLNDFEI-JTQLQIEISA-N 0 0 228.263 3.043 10 0 BGAERN O=C(c1ccc(F)c(F)c1)[C@H]1CCCS1 ZINC000069985202 361320295 /nfs/dbraw/zinc/32/02/95/361320295.db2.gz QCIMZLPPLNDFEI-SNVBAGLBSA-N 0 0 228.263 3.043 10 0 BGAERN c1ccc2[nH]c([C@@H]3CCCS3)nc2c1 ZINC000069985584 388077340 /nfs/dbraw/zinc/07/73/40/388077340.db2.gz NSTBRRPAZMRDSF-JTQLQIEISA-N 0 0 204.298 3.131 10 0 BGAERN c1ccc2[nH]c([C@H]3CCCS3)nc2c1 ZINC000069985586 388076845 /nfs/dbraw/zinc/07/68/45/388076845.db2.gz NSTBRRPAZMRDSF-SNVBAGLBSA-N 0 0 204.298 3.131 10 0 BGAERN CSCc1nc2cc(C)c(C)cc2[nH]1 ZINC000069985626 388076610 /nfs/dbraw/zinc/07/66/10/388076610.db2.gz PCFBOJYVXWZWKN-UHFFFAOYSA-N 0 0 206.314 3.043 10 0 BGAERN CC(C)c1ccccc1N[C@@H]1CCCOC1 ZINC000070011317 490196661 /nfs/dbraw/zinc/19/66/61/490196661.db2.gz WBLMIUAQCSINNX-GFCCVEGCSA-N 0 0 219.328 3.401 10 0 BGAERN CC(=O)c1cc(C)c(Br)cc1C ZINC000070021045 374111523 /nfs/dbraw/zinc/11/15/23/374111523.db2.gz QXQAJWLVTOVYKD-UHFFFAOYSA-N 0 0 227.101 3.269 10 0 BGAERN CCC(=O)c1cc(F)c(Br)cc1F ZINC000070022489 374111360 /nfs/dbraw/zinc/11/13/60/374111360.db2.gz XSMQWDXDQIITEV-UHFFFAOYSA-N 0 0 249.054 3.320 10 0 BGAERN Cc1cc(Cl)c(C)c2c1CCCC2=O ZINC000070024137 374112532 /nfs/dbraw/zinc/11/25/32/374112532.db2.gz BYTODWOOIUNATG-UHFFFAOYSA-N 0 0 208.688 3.476 10 0 BGAERN Cc1cc(Cl)c(C)c2c1CCC[C@@H]2O ZINC000070024182 374110336 /nfs/dbraw/zinc/11/03/36/374110336.db2.gz KFNPIPKLRVXNMI-NSHDSACASA-N 0 0 210.704 3.327 10 0 BGAERN Cc1cc(Cl)c(C)c2c1CCC[C@H]2O ZINC000070024184 374109649 /nfs/dbraw/zinc/10/96/49/374109649.db2.gz KFNPIPKLRVXNMI-LLVKDONJSA-N 0 0 210.704 3.327 10 0 BGAERN Nc1ccc(C(=O)CC2CCCC2)cc1 ZINC000070041854 374114287 /nfs/dbraw/zinc/11/42/87/374114287.db2.gz QJPRVCQCGJALIJ-UHFFFAOYSA-N 0 0 203.285 3.032 10 0 BGAERN Cc1cc(C(=O)CC(C)(C)C)ccc1N ZINC000070041925 374114481 /nfs/dbraw/zinc/11/44/81/374114481.db2.gz JOQBWMYQQKVBGV-UHFFFAOYSA-N 0 0 205.301 3.196 10 0 BGAERN Cc1cc(C(=O)[C@@H](C)C(C)C)ccc1N ZINC000070041931 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/nfs/dbraw/zinc/61/46/57/361614657.db2.gz RVCXNKAODDPVSH-JTQLQIEISA-N 0 0 223.341 3.187 10 0 BGAERN C[C@@H]1CCCCCN1c1ccc(C=O)s1 ZINC000070609479 361615565 /nfs/dbraw/zinc/61/55/65/361615565.db2.gz VULCNQBFLKKMHX-SNVBAGLBSA-N 0 0 223.341 3.330 10 0 BGAERN C[C@H]1CCCCCN1c1ccc(C=O)s1 ZINC000070609480 361615368 /nfs/dbraw/zinc/61/53/68/361615368.db2.gz VULCNQBFLKKMHX-JTQLQIEISA-N 0 0 223.341 3.330 10 0 BGAERN Fc1cccc(Sc2ccc(Cl)cn2)n1 ZINC000070615127 361625833 /nfs/dbraw/zinc/62/58/33/361625833.db2.gz YRMCKSYLEUBJAQ-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN Fc1cccc(Sc2ncccc2Cl)n1 ZINC000070615142 361626179 /nfs/dbraw/zinc/62/61/79/361626179.db2.gz JTXXJKKIXCUDPC-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN O=Cc1ccc(Sc2ccc(Cl)cn2)o1 ZINC000070616267 361632755 /nfs/dbraw/zinc/63/27/55/361632755.db2.gz MXMPARPPYGDESW-UHFFFAOYSA-N 0 0 239.683 3.292 10 0 BGAERN C[C@H](O)c1ccc(SC(F)F)cc1 ZINC000070621160 361649126 /nfs/dbraw/zinc/64/91/26/361649126.db2.gz DXFBQRHBFBAUGR-LURJTMIESA-N 0 0 204.241 3.055 10 0 BGAERN C[C@@H](O)c1ccc(SC(F)F)cc1 ZINC000070621161 361648934 /nfs/dbraw/zinc/64/89/34/361648934.db2.gz DXFBQRHBFBAUGR-ZCFIWIBFSA-N 0 0 204.241 3.055 10 0 BGAERN c1cc(C2=CCCCC2)cc2c1OCO2 ZINC000070632478 188287061 /nfs/dbraw/zinc/28/70/61/188287061.db2.gz WFMKXQUMEOFRPL-UHFFFAOYSA-N 0 0 202.253 3.373 10 0 BGAERN Cc1cc(O)ccc1NCc1cccs1 ZINC000070634864 178201466 /nfs/dbraw/zinc/20/14/66/178201466.db2.gz BKXGKUIJIUVNKL-UHFFFAOYSA-N 0 0 219.309 3.374 10 0 BGAERN Nc1ccc(-c2nc(C3CC3)cs2)cc1 ZINC000070650787 361695468 /nfs/dbraw/zinc/69/54/68/361695468.db2.gz XNCODMXYIQBKFA-UHFFFAOYSA-N 0 0 216.309 3.270 10 0 BGAERN Nc1cccc(-c2nc(C3CC3)cs2)c1 ZINC000070650788 361696191 /nfs/dbraw/zinc/69/61/91/361696191.db2.gz WAXDLOTYWSWNNM-UHFFFAOYSA-N 0 0 216.309 3.270 10 0 BGAERN Nc1ccc(C(=O)c2cccs2)c(Cl)c1 ZINC000070651722 343953410 /nfs/dbraw/zinc/95/34/10/343953410.db2.gz JBMJFRILTOZWKA-UHFFFAOYSA-N 0 0 237.711 3.215 10 0 BGAERN CCOCCSc1ccc(C(C)=O)cc1 ZINC000070652848 350039487 /nfs/dbraw/zinc/03/94/87/350039487.db2.gz SJHYAFBEEBYGME-UHFFFAOYSA-N 0 0 224.325 3.018 10 0 BGAERN Cc1c[nH]c(-c2ccc(F)cc2Cl)n1 ZINC000070653280 374172006 /nfs/dbraw/zinc/17/20/06/374172006.db2.gz LPXDCSYVLQUWJA-UHFFFAOYSA-N 0 0 210.639 3.178 10 0 BGAERN Cc1c[nH]c(-c2ccc(Br)s2)n1 ZINC000070653287 374169255 /nfs/dbraw/zinc/16/92/55/374169255.db2.gz QGLBJYOHLHVMSS-UHFFFAOYSA-N 0 0 243.129 3.209 10 0 BGAERN Cc1c[nH]c(-c2ccccc2Br)n1 ZINC000070653290 388439408 /nfs/dbraw/zinc/43/94/08/388439408.db2.gz JADVSTPPDABZLB-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN Cc1c[nH]c(-c2cc(Br)cs2)n1 ZINC000070653298 374170049 /nfs/dbraw/zinc/17/00/49/374170049.db2.gz GSQYNJBDUVTJJO-UHFFFAOYSA-N 0 0 243.129 3.209 10 0 BGAERN CC1(C)CCC(NCC(F)(F)F)CC1 ZINC000070653795 386653927 /nfs/dbraw/zinc/65/39/27/386653927.db2.gz PTBPZBMPLQQGSL-UHFFFAOYSA-N 0 0 209.255 3.107 10 0 BGAERN CC1(C)CCC(O)(c2ccccc2)CC1 ZINC000070654568 388698522 /nfs/dbraw/zinc/69/85/22/388698522.db2.gz GRKGBKSQSXETJQ-UHFFFAOYSA-N 0 0 204.313 3.474 10 0 BGAERN CC1(C)CCc2nc(Cl)sc2C1 ZINC000070655007 361698790 /nfs/dbraw/zinc/69/87/90/361698790.db2.gz MYBAZSAQZNIHSL-UHFFFAOYSA-N 0 0 201.722 3.311 10 0 BGAERN CC1(C)CCC(n2cccc2C=O)CC1 ZINC000070655453 361699754 /nfs/dbraw/zinc/69/97/54/361699754.db2.gz ILPVHTNSBHEALD-UHFFFAOYSA-N 0 0 205.301 3.442 10 0 BGAERN Cc1nnc(Cl)n1C1CCC(C)(C)CC1 ZINC000070655466 361699822 /nfs/dbraw/zinc/69/98/22/361699822.db2.gz UFEYXEWFENEKRA-UHFFFAOYSA-N 0 0 227.739 3.381 10 0 BGAERN CC1(C)CCC(n2cnnc2Cl)CC1 ZINC000070655468 361699761 /nfs/dbraw/zinc/69/97/61/361699761.db2.gz JFQZDJHWQCFUJH-UHFFFAOYSA-N 0 0 213.712 3.073 10 0 BGAERN Nc1ccc(Cl)c(C(=O)c2cccs2)c1 ZINC000070671346 374173713 /nfs/dbraw/zinc/17/37/13/374173713.db2.gz KSSCVFXQTLAGQH-UHFFFAOYSA-N 0 0 237.711 3.215 10 0 BGAERN Cc1ccsc1/C=C/c1csc(N)n1 ZINC000070675358 374175562 /nfs/dbraw/zinc/17/55/62/374175562.db2.gz JCAAGVVZFUTUOF-NSCUHMNNSA-N 0 0 222.338 3.266 10 0 BGAERN CC(C)C[C@@H]1CCC[C@H](C(F)(F)F)N1 ZINC000070709824 191003943 /nfs/dbraw/zinc/00/39/43/191003943.db2.gz PWJGLMISEMYTAO-DTWKUNHWSA-N 0 0 209.255 3.106 10 0 BGAERN CC(C)C[C@H]1CCC[C@H](C(F)(F)F)N1 ZINC000070709825 384133952 /nfs/dbraw/zinc/13/39/52/384133952.db2.gz PWJGLMISEMYTAO-RKDXNWHRSA-N 0 0 209.255 3.106 10 0 BGAERN CC(C)C[C@@H]1CCC[C@@H](C(F)(F)F)N1 ZINC000070709826 191003800 /nfs/dbraw/zinc/00/38/00/191003800.db2.gz PWJGLMISEMYTAO-IUCAKERBSA-N 0 0 209.255 3.106 10 0 BGAERN CC(C)C[C@H]1CCC[C@@H](C(F)(F)F)N1 ZINC000070709828 384134282 /nfs/dbraw/zinc/13/42/82/384134282.db2.gz PWJGLMISEMYTAO-BDAKNGLRSA-N 0 0 209.255 3.106 10 0 BGAERN Cc1ccc(C[C@@H](C)n2cnnc2Cl)s1 ZINC000070717030 374182409 /nfs/dbraw/zinc/18/24/09/374182409.db2.gz KTGXVMSZEZORGI-SSDOTTSWSA-N 0 0 241.747 3.105 10 0 BGAERN Cc1ccc(C[C@H](C)n2cnnc2Cl)s1 ZINC000070717032 374182430 /nfs/dbraw/zinc/18/24/30/374182430.db2.gz KTGXVMSZEZORGI-ZETCQYMHSA-N 0 0 241.747 3.105 10 0 BGAERN Cc1ccc([C@@H](C)N[C@H](C)c2nccs2)o1 ZINC000070732304 384134515 /nfs/dbraw/zinc/13/45/15/384134515.db2.gz ZOHMNZPRMRVNJS-NXEZZACHSA-N 0 0 236.340 3.456 10 0 BGAERN Cc1ccc([C@H](C)N[C@H](C)c2nccs2)o1 ZINC000070732305 384134654 /nfs/dbraw/zinc/13/46/54/384134654.db2.gz ZOHMNZPRMRVNJS-VHSXEESVSA-N 0 0 236.340 3.456 10 0 BGAERN CC[C@H](Nc1nccs1)c1nccs1 ZINC000070734014 374184217 /nfs/dbraw/zinc/18/42/17/374184217.db2.gz SNWTZCVMNFDBQK-ZETCQYMHSA-N 0 0 225.342 3.163 10 0 BGAERN CC[C@@H](Nc1nccs1)c1nccs1 ZINC000070734016 374184664 /nfs/dbraw/zinc/18/46/64/374184664.db2.gz SNWTZCVMNFDBQK-SSDOTTSWSA-N 0 0 225.342 3.163 10 0 BGAERN C[C@H](Nc1ccc(Cl)cn1)c1nccs1 ZINC000070734065 343954849 /nfs/dbraw/zinc/95/48/49/343954849.db2.gz JEHOKEOVIXPQJV-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1ccc(Cl)cn1)c1nccs1 ZINC000070734067 374184326 /nfs/dbraw/zinc/18/43/26/374184326.db2.gz JEHOKEOVIXPQJV-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN CC[C@@H](c1nccs1)n1cc[nH]c1=S ZINC000070734178 343954750 /nfs/dbraw/zinc/95/47/50/343954750.db2.gz ZTIHPJHBVABXFN-ZETCQYMHSA-N 0 0 225.342 3.002 10 0 BGAERN CC[C@H](c1nccs1)n1cc[nH]c1=S ZINC000070734180 374183599 /nfs/dbraw/zinc/18/35/99/374183599.db2.gz ZTIHPJHBVABXFN-SSDOTTSWSA-N 0 0 225.342 3.002 10 0 BGAERN C[C@H](Nc1cccc(Cl)n1)c1nccs1 ZINC000070734246 374186201 /nfs/dbraw/zinc/18/62/01/374186201.db2.gz PAUFIJMHBQUUFS-ZETCQYMHSA-N 0 0 239.731 3.365 10 0 BGAERN C[C@@H](Nc1cccc(Cl)n1)c1nccs1 ZINC000070734248 374186457 /nfs/dbraw/zinc/18/64/57/374186457.db2.gz PAUFIJMHBQUUFS-SSDOTTSWSA-N 0 0 239.731 3.365 10 0 BGAERN Cc1ccc(C)n1[C@@H](C)c1nccs1 ZINC000070734542 374183711 /nfs/dbraw/zinc/18/37/11/374183711.db2.gz AMUUCCJVCNMDQY-JTQLQIEISA-N 0 0 206.314 3.171 10 0 BGAERN Cc1ccc(C)n1[C@H](C)c1nccs1 ZINC000070734543 374184463 /nfs/dbraw/zinc/18/44/63/374184463.db2.gz AMUUCCJVCNMDQY-SNVBAGLBSA-N 0 0 206.314 3.171 10 0 BGAERN O=Cc1cccc2c1ccn2C/C=C/Cl ZINC000070735297 374186438 /nfs/dbraw/zinc/18/64/38/374186438.db2.gz IWVBLSKYFGRNEP-QHHAFSJGSA-N 0 0 219.671 3.206 10 0 BGAERN O=Cc1cccc2c1ccn2CC(F)(F)F ZINC000070735321 342698906 /nfs/dbraw/zinc/69/89/06/342698906.db2.gz AIGYAXIGNOCFQR-UHFFFAOYSA-N 0 0 227.185 3.016 10 0 BGAERN O=C(C1CC1)C1(c2ccccc2)CCC1 ZINC000070735820 361747612 /nfs/dbraw/zinc/74/76/12/361747612.db2.gz SUUUXSAVMLUBHQ-UHFFFAOYSA-N 0 0 200.281 3.087 10 0 BGAERN O=C(c1cc(Br)cs1)C1CC1 ZINC000070735850 383893977 /nfs/dbraw/zinc/89/39/77/383893977.db2.gz BYUABLPJZYJPPJ-UHFFFAOYSA-N 0 0 231.114 3.103 10 0 BGAERN O=C1CCC[C@@H](CCc2cccs2)C1 ZINC000070737467 374186222 /nfs/dbraw/zinc/18/62/22/374186222.db2.gz YQQUHHCGHYUBHM-JTQLQIEISA-N 0 0 208.326 3.440 10 0 BGAERN O=C1CCC[C@H](CCc2cccs2)C1 ZINC000070737468 374186479 /nfs/dbraw/zinc/18/64/79/374186479.db2.gz YQQUHHCGHYUBHM-SNVBAGLBSA-N 0 0 208.326 3.440 10 0 BGAERN CCOc1ccc([C@@H]2CCCC(=O)C2)cc1 ZINC000070737536 170560500 /nfs/dbraw/zinc/56/05/00/170560500.db2.gz MADAKHISMXYZTK-GFCCVEGCSA-N 0 0 218.296 3.312 10 0 BGAERN Cc1cc([C@@H]2CCCC(=O)C2)ccc1F ZINC000070737543 178238798 /nfs/dbraw/zinc/23/87/98/178238798.db2.gz IRMNVFNLSOZNAL-SNVBAGLBSA-N 0 0 206.260 3.361 10 0 BGAERN Cc1cc([C@H]2CCCC(=O)C2)ccc1F ZINC000070737546 178264577 /nfs/dbraw/zinc/26/45/77/178264577.db2.gz IRMNVFNLSOZNAL-JTQLQIEISA-N 0 0 206.260 3.361 10 0 BGAERN Cc1ccc(F)c([C@@H]2CCCC(=O)C2)c1 ZINC000070737549 374185593 /nfs/dbraw/zinc/18/55/93/374185593.db2.gz RCAHAWPKFKTLQI-SNVBAGLBSA-N 0 0 206.260 3.361 10 0 BGAERN Cc1ccc(F)c([C@H]2CCCC(=O)C2)c1 ZINC000070737552 374185899 /nfs/dbraw/zinc/18/58/99/374185899.db2.gz RCAHAWPKFKTLQI-JTQLQIEISA-N 0 0 206.260 3.361 10 0 BGAERN O=C1CCC[C@@H](c2ccc(F)cc2F)C1 ZINC000070737554 388438853 /nfs/dbraw/zinc/43/88/53/388438853.db2.gz HNQKSTBOEBIBTK-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@H](c2ccc(F)cc2F)C1 ZINC000070737555 388439648 /nfs/dbraw/zinc/43/96/48/388439648.db2.gz HNQKSTBOEBIBTK-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000070737556 388438969 /nfs/dbraw/zinc/43/89/69/388438969.db2.gz HDWMORWIZFYRDR-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000070737557 388439066 /nfs/dbraw/zinc/43/90/66/388439066.db2.gz HDWMORWIZFYRDR-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN Cc1ccccc1C[C@@H]1CCCC(=O)C1 ZINC000070737599 361751418 /nfs/dbraw/zinc/75/14/18/361751418.db2.gz SGRDPNJJGXRVSP-LBPRGKRZSA-N 0 0 202.297 3.297 10 0 BGAERN Cc1ccccc1C[C@H]1CCCC(=O)C1 ZINC000070737600 361751386 /nfs/dbraw/zinc/75/13/86/361751386.db2.gz SGRDPNJJGXRVSP-GFCCVEGCSA-N 0 0 202.297 3.297 10 0 BGAERN O=C1CCC[C@@H](CCc2ccccc2)C1 ZINC000070737601 361751346 /nfs/dbraw/zinc/75/13/46/361751346.db2.gz BENRBZIPFOWPND-ZDUSSCGKSA-N 0 0 202.297 3.379 10 0 BGAERN O=C1CCC[C@H](CCc2ccccc2)C1 ZINC000070737602 361748671 /nfs/dbraw/zinc/74/86/71/361748671.db2.gz BENRBZIPFOWPND-CYBMUJFWSA-N 0 0 202.297 3.379 10 0 BGAERN Cc1cc(F)ccc1[C@@H]1CCCC(=O)C1 ZINC000070737623 361748505 /nfs/dbraw/zinc/74/85/05/361748505.db2.gz JNOOSUNXAORPOA-SNVBAGLBSA-N 0 0 206.260 3.361 10 0 BGAERN Cc1cc(F)ccc1[C@H]1CCCC(=O)C1 ZINC000070737624 361748496 /nfs/dbraw/zinc/74/84/96/361748496.db2.gz JNOOSUNXAORPOA-JTQLQIEISA-N 0 0 206.260 3.361 10 0 BGAERN O=C1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000070737648 361748405 /nfs/dbraw/zinc/74/84/05/361748405.db2.gz MCDHBZIIMZSXQT-NSHDSACASA-N 0 0 206.260 3.128 10 0 BGAERN O=C1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000070737649 361748264 /nfs/dbraw/zinc/74/82/64/361748264.db2.gz MCDHBZIIMZSXQT-LLVKDONJSA-N 0 0 206.260 3.128 10 0 BGAERN O=C1CCC[C@@H](Cc2ccccc2F)C1 ZINC000070737654 361748528 /nfs/dbraw/zinc/74/85/28/361748528.db2.gz VXXAHXZSKCCBMS-JTQLQIEISA-N 0 0 206.260 3.128 10 0 BGAERN O=C1CCC[C@H](Cc2ccccc2F)C1 ZINC000070737655 361748609 /nfs/dbraw/zinc/74/86/09/361748609.db2.gz VXXAHXZSKCCBMS-SNVBAGLBSA-N 0 0 206.260 3.128 10 0 BGAERN O=C1CCC[C@@H](c2cc(F)cc(F)c2)C1 ZINC000070737695 384134446 /nfs/dbraw/zinc/13/44/46/384134446.db2.gz VBFPSVQEOHTDHK-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@H](c2cc(F)cc(F)c2)C1 ZINC000070737697 384133868 /nfs/dbraw/zinc/13/38/68/384133868.db2.gz VBFPSVQEOHTDHK-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@@H](CCc2ccsc2)C1 ZINC000070737701 343954813 /nfs/dbraw/zinc/95/48/13/343954813.db2.gz IVPZJHOAWOLGNN-JTQLQIEISA-N 0 0 208.326 3.440 10 0 BGAERN O=C1CCC[C@H](CCc2ccsc2)C1 ZINC000070737703 343954777 /nfs/dbraw/zinc/95/47/77/343954777.db2.gz IVPZJHOAWOLGNN-SNVBAGLBSA-N 0 0 208.326 3.440 10 0 BGAERN O=C1CCC[C@@H](c2cccc(F)c2F)C1 ZINC000070737706 343954795 /nfs/dbraw/zinc/95/47/95/343954795.db2.gz BITUDRSPYPVDCU-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@H](c2cccc(F)c2F)C1 ZINC000070737708 361748593 /nfs/dbraw/zinc/74/85/93/361748593.db2.gz BITUDRSPYPVDCU-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN COc1ccc(C)cc1[C@@H]1CCCC(=O)C1 ZINC000070737839 175079797 /nfs/dbraw/zinc/07/97/97/175079797.db2.gz XYSZFCJHWGAGSJ-LLVKDONJSA-N 0 0 218.296 3.230 10 0 BGAERN COc1ccc(C)cc1[C@H]1CCCC(=O)C1 ZINC000070737841 175081854 /nfs/dbraw/zinc/08/18/54/175081854.db2.gz XYSZFCJHWGAGSJ-NSHDSACASA-N 0 0 218.296 3.230 10 0 BGAERN COc1ccc([C@@H]2CCCC(=O)C2)cc1F ZINC000070737887 175181890 /nfs/dbraw/zinc/18/18/90/175181890.db2.gz MVCLMRBCYZEOCN-SECBINFHSA-N 0 0 222.259 3.061 10 0 BGAERN O=C1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000070737894 384135116 /nfs/dbraw/zinc/13/51/16/384135116.db2.gz ZEYZNMXQNJUPIH-MRVPVSSYSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000070737895 388439515 /nfs/dbraw/zinc/43/95/15/388439515.db2.gz ZEYZNMXQNJUPIH-QMMMGPOBSA-N 0 0 210.223 3.192 10 0 BGAERN O=C1CCC[C@@H](c2occc2Br)C1 ZINC000070737990 374185907 /nfs/dbraw/zinc/18/59/07/374185907.db2.gz IQNFSXVMYNCIJW-SSDOTTSWSA-N 0 0 243.100 3.269 10 0 BGAERN O=C1CCC[C@H](c2occc2Br)C1 ZINC000070737993 343954946 /nfs/dbraw/zinc/95/49/46/343954946.db2.gz IQNFSXVMYNCIJW-ZETCQYMHSA-N 0 0 243.100 3.269 10 0 BGAERN CC(C)Oc1ccc([C@@H]2CCC(=O)C2)cc1 ZINC000070738072 167298176 /nfs/dbraw/zinc/29/81/76/167298176.db2.gz AMQUJGORNJOFLB-GFCCVEGCSA-N 0 0 218.296 3.310 10 0 BGAERN CC(C)Oc1ccc([C@H]2CCC(=O)C2)cc1 ZINC000070738074 167301151 /nfs/dbraw/zinc/30/11/51/167301151.db2.gz AMQUJGORNJOFLB-LBPRGKRZSA-N 0 0 218.296 3.310 10 0 BGAERN CCc1ccc(C[C@@H]2CCC(=O)C2)cc1 ZINC000070738104 343954961 /nfs/dbraw/zinc/95/49/61/343954961.db2.gz WOMQLNBLZAVGMD-ZDUSSCGKSA-N 0 0 202.297 3.161 10 0 BGAERN CCc1ccc(C[C@H]2CCC(=O)C2)cc1 ZINC000070738106 343954784 /nfs/dbraw/zinc/95/47/84/343954784.db2.gz WOMQLNBLZAVGMD-CYBMUJFWSA-N 0 0 202.297 3.161 10 0 BGAERN Cc1ccc(C)c(C[C@@H]2CCC(=O)C2)c1 ZINC000070738191 343954809 /nfs/dbraw/zinc/95/48/09/343954809.db2.gz HTZHTDQIIXZKSO-LBPRGKRZSA-N 0 0 202.297 3.215 10 0 BGAERN Cc1ccc(C)c(C[C@H]2CCC(=O)C2)c1 ZINC000070738193 343954929 /nfs/dbraw/zinc/95/49/29/343954929.db2.gz HTZHTDQIIXZKSO-GFCCVEGCSA-N 0 0 202.297 3.215 10 0 BGAERN O=C1CC[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000070738343 343955240 /nfs/dbraw/zinc/95/52/40/343955240.db2.gz VTGYKFXUFIJMDM-JTQLQIEISA-N 0 0 208.688 3.252 10 0 BGAERN O=C1CC[C@H](Cc2ccc(Cl)cc2)C1 ZINC000070738346 343955331 /nfs/dbraw/zinc/95/53/31/343955331.db2.gz VTGYKFXUFIJMDM-SNVBAGLBSA-N 0 0 208.688 3.252 10 0 BGAERN CCCc1ccc([C@@H]2CCC(=O)C2)cc1 ZINC000070738367 388439117 /nfs/dbraw/zinc/43/91/17/388439117.db2.gz INWSHFQBFPRNCZ-CYBMUJFWSA-N 0 0 202.297 3.476 10 0 BGAERN CCCc1ccc([C@H]2CCC(=O)C2)cc1 ZINC000070738372 388439612 /nfs/dbraw/zinc/43/96/12/388439612.db2.gz INWSHFQBFPRNCZ-ZDUSSCGKSA-N 0 0 202.297 3.476 10 0 BGAERN Cc1cc(C)cc(C[C@@H]2CCC(=O)C2)c1 ZINC000070738458 343955354 /nfs/dbraw/zinc/95/53/54/343955354.db2.gz NDNLDTRSCIHDDJ-LBPRGKRZSA-N 0 0 202.297 3.215 10 0 BGAERN Cc1cc(C)cc(C[C@H]2CCC(=O)C2)c1 ZINC000070738460 361750455 /nfs/dbraw/zinc/75/04/55/361750455.db2.gz NDNLDTRSCIHDDJ-GFCCVEGCSA-N 0 0 202.297 3.215 10 0 BGAERN COc1ccc(Cl)cc1[C@@H]1CCC(=O)C1 ZINC000070738473 175121608 /nfs/dbraw/zinc/12/16/08/175121608.db2.gz RFCRFJCNZACOMQ-MRVPVSSYSA-N 0 0 224.687 3.185 10 0 BGAERN COc1ccc(Cl)cc1[C@H]1CCC(=O)C1 ZINC000070738474 175123476 /nfs/dbraw/zinc/12/34/76/175123476.db2.gz RFCRFJCNZACOMQ-QMMMGPOBSA-N 0 0 224.687 3.185 10 0 BGAERN CCCOc1ccc([C@@H]2CCC(=O)C2)cc1 ZINC000070738485 169321484 /nfs/dbraw/zinc/32/14/84/169321484.db2.gz FGYLMUWKDZPZNR-GFCCVEGCSA-N 0 0 218.296 3.312 10 0 BGAERN CCCOc1ccc([C@H]2CCC(=O)C2)cc1 ZINC000070738486 169322689 /nfs/dbraw/zinc/32/26/89/169322689.db2.gz FGYLMUWKDZPZNR-LBPRGKRZSA-N 0 0 218.296 3.312 10 0 BGAERN O=C1CC[C@@H](Cc2ccc(F)cc2Cl)C1 ZINC000070738556 361750467 /nfs/dbraw/zinc/75/04/67/361750467.db2.gz FVNKUFIQUDBIKG-QMMMGPOBSA-N 0 0 226.678 3.391 10 0 BGAERN O=C1CC[C@H](Cc2ccc(F)cc2Cl)C1 ZINC000070738559 361750836 /nfs/dbraw/zinc/75/08/36/361750836.db2.gz FVNKUFIQUDBIKG-MRVPVSSYSA-N 0 0 226.678 3.391 10 0 BGAERN O=C1CC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070738567 361750268 /nfs/dbraw/zinc/75/02/68/361750268.db2.gz BMLORVNFUBDBRP-SSDOTTSWSA-N 0 0 214.717 3.313 10 0 BGAERN O=C1CC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070738570 361750548 /nfs/dbraw/zinc/75/05/48/361750548.db2.gz BMLORVNFUBDBRP-ZETCQYMHSA-N 0 0 214.717 3.313 10 0 BGAERN O=C1CC[C@@H](Cc2c(F)cccc2Cl)C1 ZINC000070738629 374185868 /nfs/dbraw/zinc/18/58/68/374185868.db2.gz DQAJEISCTMPGNQ-MRVPVSSYSA-N 0 0 226.678 3.391 10 0 BGAERN O=C1CC[C@H](Cc2c(F)cccc2Cl)C1 ZINC000070738631 374186229 /nfs/dbraw/zinc/18/62/29/374186229.db2.gz DQAJEISCTMPGNQ-QMMMGPOBSA-N 0 0 226.678 3.391 10 0 BGAERN CC(=O)CCCc1ccc(Br)s1 ZINC000070738710 188305308 /nfs/dbraw/zinc/30/53/08/188305308.db2.gz NKJOKFBOJHPZCK-UHFFFAOYSA-N 0 0 247.157 3.422 10 0 BGAERN CCC(=O)CCc1ccc(OC(C)C)cc1 ZINC000070739069 168204690 /nfs/dbraw/zinc/20/46/90/168204690.db2.gz AARMPLZZJDUXIJ-UHFFFAOYSA-N 0 0 220.312 3.386 10 0 BGAERN CCCOc1ccc(CCC(=O)CC)cc1 ZINC000070739242 169317794 /nfs/dbraw/zinc/31/77/94/169317794.db2.gz OOPKNBCUVWBXFI-UHFFFAOYSA-N 0 0 220.312 3.387 10 0 BGAERN O=C1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000070740315 374186128 /nfs/dbraw/zinc/18/61/28/374186128.db2.gz XDKMDGBXQLPCDK-LLVKDONJSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCC[C@H](c2cccc(F)c2)C1 ZINC000070740318 374186063 /nfs/dbraw/zinc/18/60/63/374186063.db2.gz XDKMDGBXQLPCDK-NSHDSACASA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000070740500 361752821 /nfs/dbraw/zinc/75/28/21/361752821.db2.gz IULBVJXYHZDVAC-LLVKDONJSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000070740503 361752991 /nfs/dbraw/zinc/75/29/91/361752991.db2.gz IULBVJXYHZDVAC-NSHDSACASA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCC[C@@H](c2ccccc2F)C1 ZINC000070740589 361752553 /nfs/dbraw/zinc/75/25/53/361752553.db2.gz DANIEDRWVPEZBI-SNVBAGLBSA-N 0 0 206.260 3.443 10 0 BGAERN O=C1CCCC[C@H](c2ccccc2F)C1 ZINC000070740592 361752560 /nfs/dbraw/zinc/75/25/60/361752560.db2.gz DANIEDRWVPEZBI-JTQLQIEISA-N 0 0 206.260 3.443 10 0 BGAERN CC[C@H]1CC[C@@H](Nc2c(C)nn(C)c2C)C1 ZINC000070760041 536094314 /nfs/dbraw/zinc/09/43/14/536094314.db2.gz ARNFJIVWJOBENB-NWDGAFQWSA-N 0 0 221.348 3.028 10 0 BGAERN COCc1ccccc1N[C@@H]1CC[C@H](C)C1 ZINC000070760936 174635983 /nfs/dbraw/zinc/63/59/83/174635983.db2.gz XPXCNEAIBKACIB-WCQYABFASA-N 0 0 219.328 3.434 10 0 BGAERN CC[C@@H]1CC[C@H](Nc2cccc(CO)c2)C1 ZINC000070761204 323254769 /nfs/dbraw/zinc/25/47/69/323254769.db2.gz XTQWHNMGDUAOPF-RISCZKNCSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@H]1CC[C@H](Nc2cccc(CO)c2)C1 ZINC000070761206 323254585 /nfs/dbraw/zinc/25/45/85/323254585.db2.gz XTQWHNMGDUAOPF-FZMZJTMJSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@@H]1CC[C@@H](Nc2cccc(CO)c2)C1 ZINC000070761208 323254873 /nfs/dbraw/zinc/25/48/73/323254873.db2.gz XTQWHNMGDUAOPF-BXUZGUMPSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@H]1CC[C@@H](Nc2cccc(CO)c2)C1 ZINC000070761211 323254826 /nfs/dbraw/zinc/25/48/26/323254826.db2.gz XTQWHNMGDUAOPF-SMDDNHRTSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@@H]1CC[C@H](Nc2cccnc2OC)C1 ZINC000070761329 535824718 /nfs/dbraw/zinc/82/47/18/535824718.db2.gz CLPIPAOVLAUCME-MNOVXSKESA-N 0 0 220.316 3.081 10 0 BGAERN CC[C@@H]1CC[C@H](Nc2ccccc2CO)C1 ZINC000070761492 325029843 /nfs/dbraw/zinc/02/98/43/325029843.db2.gz KUBMLDKFRZHLPU-YPMHNXCESA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@H]1CC[C@H](Nc2ccccc2CO)C1 ZINC000070761494 325029638 /nfs/dbraw/zinc/02/96/38/325029638.db2.gz KUBMLDKFRZHLPU-AAEUAGOBSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@@H]1CC[C@@H](Nc2ccccc2CO)C1 ZINC000070761495 325029926 /nfs/dbraw/zinc/02/99/26/325029926.db2.gz KUBMLDKFRZHLPU-DGCLKSJQSA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@H]1CC[C@@H](Nc2ccccc2CO)C1 ZINC000070761497 325029903 /nfs/dbraw/zinc/02/99/03/325029903.db2.gz KUBMLDKFRZHLPU-WCQYABFASA-N 0 0 219.328 3.170 10 0 BGAERN CC[C@@H]1CC[C@H](Nc2cnccc2C)C1 ZINC000070762760 325028985 /nfs/dbraw/zinc/02/89/85/325028985.db2.gz VRUUKWDKGFNEPX-NEPJUHHUSA-N 0 0 204.317 3.381 10 0 BGAERN CC[C@H]1CC[C@H](Nc2cnccc2C)C1 ZINC000070762763 325029249 /nfs/dbraw/zinc/02/92/49/325029249.db2.gz VRUUKWDKGFNEPX-RYUDHWBXSA-N 0 0 204.317 3.381 10 0 BGAERN CC[C@@H]1CC[C@@H](Nc2cnccc2C)C1 ZINC000070762765 325029341 /nfs/dbraw/zinc/02/93/41/325029341.db2.gz VRUUKWDKGFNEPX-VXGBXAGGSA-N 0 0 204.317 3.381 10 0 BGAERN CC[C@H]1CC[C@@H](Nc2cnccc2C)C1 ZINC000070762767 325029046 /nfs/dbraw/zinc/02/90/46/325029046.db2.gz VRUUKWDKGFNEPX-NWDGAFQWSA-N 0 0 204.317 3.381 10 0 BGAERN C[C@@H]1CC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000070764715 374187331 /nfs/dbraw/zinc/18/73/31/374187331.db2.gz ZRMGCHBKOMIZPO-BXKDBHETSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000070764717 374187121 /nfs/dbraw/zinc/18/71/21/374187121.db2.gz ZRMGCHBKOMIZPO-JOYOIKCWSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000070764718 374188423 /nfs/dbraw/zinc/18/84/23/374188423.db2.gz ZRMGCHBKOMIZPO-SKDRFNHKSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000070764720 374188389 /nfs/dbraw/zinc/18/83/89/374188389.db2.gz ZRMGCHBKOMIZPO-CABZTGNLSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@@H]1CC[C@](O)(c2cccc(Cl)c2)C1 ZINC000070764748 374187392 /nfs/dbraw/zinc/18/73/92/374187392.db2.gz JYIVFLUWPMEPQO-BXKDBHETSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@](O)(c2cccc(Cl)c2)C1 ZINC000070764749 374188284 /nfs/dbraw/zinc/18/82/84/374188284.db2.gz JYIVFLUWPMEPQO-JOYOIKCWSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2cccc(Cl)c2)C1 ZINC000070764751 374187911 /nfs/dbraw/zinc/18/79/11/374187911.db2.gz JYIVFLUWPMEPQO-SKDRFNHKSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@@](O)(c2cccc(Cl)c2)C1 ZINC000070764753 374190039 /nfs/dbraw/zinc/19/00/39/374190039.db2.gz JYIVFLUWPMEPQO-CABZTGNLSA-N 0 0 210.704 3.348 10 0 BGAERN CCc1ccc([C@]2(O)CC[C@H](C)C2)cc1 ZINC000070764829 386830743 /nfs/dbraw/zinc/83/07/43/386830743.db2.gz IEWLJKFHTHXDFP-FZMZJTMJSA-N 0 0 204.313 3.257 10 0 BGAERN CCc1ccc([C@@]2(O)CC[C@H](C)C2)cc1 ZINC000070764832 386831506 /nfs/dbraw/zinc/83/15/06/386831506.db2.gz IEWLJKFHTHXDFP-SMDDNHRTSA-N 0 0 204.313 3.257 10 0 BGAERN CCc1ccc([C@]2(O)CC[C@@H](C)C2)cc1 ZINC000070764833 386832461 /nfs/dbraw/zinc/83/24/61/386832461.db2.gz IEWLJKFHTHXDFP-RISCZKNCSA-N 0 0 204.313 3.257 10 0 BGAERN CCc1ccc([C@@]2(O)CC[C@@H](C)C2)cc1 ZINC000070764836 259449810 /nfs/dbraw/zinc/44/98/10/259449810.db2.gz IEWLJKFHTHXDFP-BXUZGUMPSA-N 0 0 204.313 3.257 10 0 BGAERN C[C@@H]1CC[C@](O)(c2occc2Br)C1 ZINC000070764951 374189352 /nfs/dbraw/zinc/18/93/52/374189352.db2.gz GKYRFQKKNXIRSY-GMSGAONNSA-N 0 0 245.116 3.050 10 0 BGAERN C[C@H]1CC[C@](O)(c2occc2Br)C1 ZINC000070764953 374188271 /nfs/dbraw/zinc/18/82/71/374188271.db2.gz GKYRFQKKNXIRSY-OIBJUYFYSA-N 0 0 245.116 3.050 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2occc2Br)C1 ZINC000070764955 374187176 /nfs/dbraw/zinc/18/71/76/374187176.db2.gz GKYRFQKKNXIRSY-XCBNKYQSSA-N 0 0 245.116 3.050 10 0 BGAERN C[C@H]1CC[C@@](O)(c2occc2Br)C1 ZINC000070764956 374187818 /nfs/dbraw/zinc/18/78/18/374187818.db2.gz GKYRFQKKNXIRSY-XVKPBYJWSA-N 0 0 245.116 3.050 10 0 BGAERN C[C@@H]1CC[C@](O)(c2ccccc2Cl)C1 ZINC000070765173 398137925 /nfs/dbraw/zinc/13/79/25/398137925.db2.gz LRLFPBRSKSJICG-BXKDBHETSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@](O)(c2ccccc2Cl)C1 ZINC000070765175 374190428 /nfs/dbraw/zinc/19/04/28/374190428.db2.gz LRLFPBRSKSJICG-JOYOIKCWSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2ccccc2Cl)C1 ZINC000070765177 374190234 /nfs/dbraw/zinc/19/02/34/374190234.db2.gz LRLFPBRSKSJICG-SKDRFNHKSA-N 0 0 210.704 3.348 10 0 BGAERN C[C@H]1CC[C@@](O)(c2ccccc2Cl)C1 ZINC000070765179 374189972 /nfs/dbraw/zinc/18/99/72/374189972.db2.gz LRLFPBRSKSJICG-CABZTGNLSA-N 0 0 210.704 3.348 10 0 BGAERN OCCCCc1cccc(C(F)(F)F)c1 ZINC000070770026 398137803 /nfs/dbraw/zinc/13/78/03/398137803.db2.gz VUUADJCCLXYQHX-UHFFFAOYSA-N 0 0 218.218 3.020 10 0 BGAERN OCCCCc1ccc(Cl)c(Cl)c1 ZINC000070770075 187786634 /nfs/dbraw/zinc/78/66/34/187786634.db2.gz FZPUOZORJTUXOL-UHFFFAOYSA-N 0 0 219.111 3.308 10 0 BGAERN OCCCCc1ccc(C(F)(F)F)cc1 ZINC000070770077 350058765 /nfs/dbraw/zinc/05/87/65/350058765.db2.gz KEHDLOMFYWIAKH-UHFFFAOYSA-N 0 0 218.218 3.020 10 0 BGAERN C[C@H](O)CCCc1ccc(Br)cc1 ZINC000070770108 350058661 /nfs/dbraw/zinc/05/86/61/350058661.db2.gz XBJAFUBINACMTK-VIFPVBQESA-N 0 0 243.144 3.153 10 0 BGAERN C[C@@H](O)CCCc1ccc(Br)cc1 ZINC000070770112 350058877 /nfs/dbraw/zinc/05/88/77/350058877.db2.gz XBJAFUBINACMTK-SECBINFHSA-N 0 0 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/nfs/dbraw/zinc/94/01/10/361940110.db2.gz YGWGDNQZYPCASY-UHFFFAOYSA-N 0 0 240.715 3.176 10 0 BGAERN Cc1ccc(-c2nnc(Cl)s2)s1 ZINC000071050471 343959152 /nfs/dbraw/zinc/95/91/52/343959152.db2.gz LBCQXJDENCKHJY-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN Clc1nnc(-c2ccc3c(c2)CCC3)s1 ZINC000071050479 343959149 /nfs/dbraw/zinc/95/91/49/343959149.db2.gz AMQVCAYSTFVXLH-UHFFFAOYSA-N 0 0 236.727 3.347 10 0 BGAERN CCc1ccc(-c2nnc(Cl)s2)cc1 ZINC000071050482 361940748 /nfs/dbraw/zinc/94/07/48/361940748.db2.gz SSJPMVSDZVFJFT-UHFFFAOYSA-N 0 0 224.716 3.421 10 0 BGAERN Cc1ccsc1-c1nnc(Cl)s1 ZINC000071050485 361940022 /nfs/dbraw/zinc/94/00/22/361940022.db2.gz GLJHVCVBJXTXAQ-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN Clc1nnc(C2CCCCC2)s1 ZINC000071050611 361940267 /nfs/dbraw/zinc/94/02/67/361940267.db2.gz JPKMTQFGYNLSKU-UHFFFAOYSA-N 0 0 202.710 3.239 10 0 BGAERN Clc1nnc(CCC2CCCC2)s1 ZINC000071050619 361940629 /nfs/dbraw/zinc/94/06/29/361940629.db2.gz OOIOVWQJVWDULT-UHFFFAOYSA-N 0 0 216.737 3.314 10 0 BGAERN Clc1nnc(Cc2ccccc2Cl)s1 ZINC000071050793 343959069 /nfs/dbraw/zinc/95/90/69/343959069.db2.gz KITAPIQAQDSHQU-UHFFFAOYSA-N 0 0 245.134 3.436 10 0 BGAERN Cc1ccccc1Cc1nnc(Cl)s1 ZINC000071050799 361940818 /nfs/dbraw/zinc/94/08/18/361940818.db2.gz JFRHNCMKGDDDMT-UHFFFAOYSA-N 0 0 224.716 3.091 10 0 BGAERN Clc1nnc(CC2CCCCC2)s1 ZINC000071050857 361942018 /nfs/dbraw/zinc/94/20/18/361942018.db2.gz HJVDHYAQAYWBGR-UHFFFAOYSA-N 0 0 216.737 3.314 10 0 BGAERN Cc1ccc(Cc2nnc(Cl)s2)cc1 ZINC000071050863 343959438 /nfs/dbraw/zinc/95/94/38/343959438.db2.gz WEPOJWAAVLKBFG-UHFFFAOYSA-N 0 0 224.716 3.091 10 0 BGAERN Cc1cccc(CCc2nnc(Cl)s2)c1 ZINC000071050879 361941900 /nfs/dbraw/zinc/94/19/00/361941900.db2.gz LTNWTRTYSXIGKC-UHFFFAOYSA-N 0 0 238.743 3.285 10 0 BGAERN Cc1ccccc1CCc1nnc(Cl)s1 ZINC000071050886 361941285 /nfs/dbraw/zinc/94/12/85/361941285.db2.gz LUDPLHPAQVFPET-UHFFFAOYSA-N 0 0 238.743 3.285 10 0 BGAERN Fc1cccc(-c2nnc(Cl)s2)c1F ZINC000071050914 361941772 /nfs/dbraw/zinc/94/17/72/361941772.db2.gz NEADNXJMQSLWTL-UHFFFAOYSA-N 0 0 232.642 3.137 10 0 BGAERN COc1ccc(C)cc1-c1nnc(Cl)s1 ZINC000071050922 361941200 /nfs/dbraw/zinc/94/12/00/361941200.db2.gz ZCHHZGRIFJJFCK-UHFFFAOYSA-N 0 0 240.715 3.176 10 0 BGAERN Cc1ccc(C)c(Cc2nnc(Cl)s2)c1 ZINC000071050925 361941942 /nfs/dbraw/zinc/94/19/42/361941942.db2.gz WKMOSCSQJNMYKC-UHFFFAOYSA-N 0 0 238.743 3.399 10 0 BGAERN Cc1ccc(CCc2nnc(Cl)s2)cc1 ZINC000071050946 361941651 /nfs/dbraw/zinc/94/16/51/361941651.db2.gz SGABFAKZPJZNKM-UHFFFAOYSA-N 0 0 238.743 3.285 10 0 BGAERN Cc1ccc(Cc2nnc(Cl)s2)cc1C ZINC000071050955 361941335 /nfs/dbraw/zinc/94/13/35/361941335.db2.gz OYBRMCOYFRDTJP-UHFFFAOYSA-N 0 0 238.743 3.399 10 0 BGAERN Clc1nnc(C2(c3ccccc3)CC2)s1 ZINC000071050994 361941611 /nfs/dbraw/zinc/94/16/11/361941611.db2.gz XQLRPSUHANKWFR-UHFFFAOYSA-N 0 0 236.727 3.271 10 0 BGAERN Cc1cc(-c2nnc(Cl)s2)ccc1F ZINC000071051031 361941830 /nfs/dbraw/zinc/94/18/30/361941830.db2.gz RVQKYOWVIAMPFR-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN Cc1ccc(F)cc1-c1nnc(Cl)s1 ZINC000071051036 361941402 /nfs/dbraw/zinc/94/14/02/361941402.db2.gz RHPWEFHURTYGNO-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN CCc1ccc(-c2nnc(Cl)s2)s1 ZINC000071051090 361941449 /nfs/dbraw/zinc/94/14/49/361941449.db2.gz HEKJFDRIPSFCIH-UHFFFAOYSA-N 0 0 230.745 3.482 10 0 BGAERN Brc1nnc(-c2ccsc2)s1 ZINC000071051202 343959115 /nfs/dbraw/zinc/95/91/15/343959115.db2.gz ZQYVRPVRRRHLCF-UHFFFAOYSA-N 0 0 247.142 3.029 10 0 BGAERN Brc1nnc(-c2cccs2)s1 ZINC000071051228 361941861 /nfs/dbraw/zinc/94/18/61/361941861.db2.gz YCYKEMIMYSXWHT-UHFFFAOYSA-N 0 0 247.142 3.029 10 0 BGAERN CCC(CC)c1nnc(Br)s1 ZINC000071051406 361942032 /nfs/dbraw/zinc/94/20/32/361942032.db2.gz ALFFASIFYPBTQG-UHFFFAOYSA-N 0 0 235.150 3.204 10 0 BGAERN Brc1nnc(CC2CCCC2)s1 ZINC000071051572 361941296 /nfs/dbraw/zinc/94/12/96/361941296.db2.gz QSKMPINLDIZCKC-UHFFFAOYSA-N 0 0 247.161 3.033 10 0 BGAERN CCC[C@@H](C)c1nnc(Br)s1 ZINC000071051587 361941931 /nfs/dbraw/zinc/94/19/31/361941931.db2.gz ATRGPACHRXRJAR-RXMQYKEDSA-N 0 0 235.150 3.204 10 0 BGAERN CCC[C@H](C)c1nnc(Br)s1 ZINC000071051591 343959190 /nfs/dbraw/zinc/95/91/90/343959190.db2.gz ATRGPACHRXRJAR-YFKPBYRVSA-N 0 0 235.150 3.204 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@@H](C)C(C)C ZINC000071052526 343959593 /nfs/dbraw/zinc/95/95/93/343959593.db2.gz WGYXOUOQTWLVCC-QMMMGPOBSA-N 0 0 215.728 3.272 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@H](C)C(C)C ZINC000071052529 343959916 /nfs/dbraw/zinc/95/99/16/343959916.db2.gz WGYXOUOQTWLVCC-MRVPVSSYSA-N 0 0 215.728 3.272 10 0 BGAERN CC(C)[C@@H](C)n1c(Cl)nnc1C1CC1 ZINC000071052531 343959874 /nfs/dbraw/zinc/95/98/74/343959874.db2.gz DXSAELPFDPRRLO-SSDOTTSWSA-N 0 0 213.712 3.026 10 0 BGAERN CC(C)[C@H](C)n1c(Cl)nnc1C1CC1 ZINC000071052537 343959601 /nfs/dbraw/zinc/95/96/01/343959601.db2.gz DXSAELPFDPRRLO-ZETCQYMHSA-N 0 0 213.712 3.026 10 0 BGAERN CC(C)c1ccc(-n2cnnc2Cl)cc1 ZINC000071052734 361936455 /nfs/dbraw/zinc/93/64/55/361936455.db2.gz ZDBLCNVVFVUAJT-UHFFFAOYSA-N 0 0 221.691 3.044 10 0 BGAERN CC(C)c1ccccc1-n1cnnc1Cl ZINC000071052745 343959944 /nfs/dbraw/zinc/95/99/44/343959944.db2.gz FJEMREZLNJWFLO-UHFFFAOYSA-N 0 0 221.691 3.044 10 0 BGAERN CC(C)c1nnc(Cl)n1Cc1ccccc1 ZINC000071052925 361936935 /nfs/dbraw/zinc/93/69/35/361936935.db2.gz YYCOVNYFUUSYRC-UHFFFAOYSA-N 0 0 235.718 3.103 10 0 BGAERN CC(C)(C)c1nnc(Cl)n1C1CCCC1 ZINC000071053147 361937466 /nfs/dbraw/zinc/93/74/66/361937466.db2.gz WVJIDMZQKGRVEU-UHFFFAOYSA-N 0 0 227.739 3.344 10 0 BGAERN CCCn1c(Cl)nnc1-c1ccccc1 ZINC000071053180 361937640 /nfs/dbraw/zinc/93/76/40/361937640.db2.gz SWMQXEHLNNAFFT-UHFFFAOYSA-N 0 0 221.691 3.009 10 0 BGAERN CCC(C)(C)n1c(Cl)nnc1C(C)(C)C ZINC000071053201 361937941 /nfs/dbraw/zinc/93/79/41/361937941.db2.gz HFLWCXFKIRBIFR-UHFFFAOYSA-N 0 0 229.755 3.374 10 0 BGAERN Clc1nnc(C2CC2)n1C1CCCCC1 ZINC000071053214 361937303 /nfs/dbraw/zinc/93/73/03/361937303.db2.gz GTHYLOOKBBHNNN-UHFFFAOYSA-N 0 0 225.723 3.314 10 0 BGAERN CC(C)c1nnc(Cl)n1-c1ccccc1 ZINC000071053222 361937601 /nfs/dbraw/zinc/93/76/01/361937601.db2.gz BSMCCKWIKMGEQC-UHFFFAOYSA-N 0 0 221.691 3.044 10 0 BGAERN Cc1nnc(Cl)n1[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000071053277 361937822 /nfs/dbraw/zinc/93/78/22/361937822.db2.gz REDFGIVZGAPPBH-OYNCUSHFSA-N 0 0 227.739 3.237 10 0 BGAERN Cc1nnc(Cl)n1[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000071053283 361937943 /nfs/dbraw/zinc/93/79/43/361937943.db2.gz REDFGIVZGAPPBH-KHQFGBGNSA-N 0 0 227.739 3.237 10 0 BGAERN CCc1nnc(Cl)n1[C@@H]1CCCC[C@@H]1C ZINC000071053333 361937942 /nfs/dbraw/zinc/93/79/42/361937942.db2.gz IGYUARJYZRHCLU-DTWKUNHWSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@H]1CCCC[C@@H]1C ZINC000071053334 361937740 /nfs/dbraw/zinc/93/77/40/361937740.db2.gz IGYUARJYZRHCLU-IUCAKERBSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@@H]1CCCC[C@H]1C ZINC000071053335 361937392 /nfs/dbraw/zinc/93/73/92/361937392.db2.gz IGYUARJYZRHCLU-RKDXNWHRSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@H]1CCCC[C@H]1C ZINC000071053339 361937694 /nfs/dbraw/zinc/93/76/94/361937694.db2.gz IGYUARJYZRHCLU-BDAKNGLRSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1C1CCC(C)CC1 ZINC000071053406 361937551 /nfs/dbraw/zinc/93/75/51/361937551.db2.gz SZKZDKGQBWVSLJ-UHFFFAOYSA-N 0 0 227.739 3.245 10 0 BGAERN CC(C)c1cccc(-n2cnnc2Cl)c1 ZINC000071053479 361937915 /nfs/dbraw/zinc/93/79/15/361937915.db2.gz UNKYPPXGROPJDX-UHFFFAOYSA-N 0 0 221.691 3.044 10 0 BGAERN Cc1nnc(Cl)n1C1CCCCCC1 ZINC000071053512 361937461 /nfs/dbraw/zinc/93/74/61/361937461.db2.gz YMSXVGIGWYXVIN-UHFFFAOYSA-N 0 0 213.712 3.135 10 0 BGAERN CCc1nnc(Cl)n1C1CCCCCC1 ZINC000071053519 361937384 /nfs/dbraw/zinc/93/73/84/361937384.db2.gz NMDKUBWRJFDERU-UHFFFAOYSA-N 0 0 227.739 3.389 10 0 BGAERN CC(C)(C)c1nnc(Cl)n1CC1CCC1 ZINC000071053540 361937247 /nfs/dbraw/zinc/93/72/47/361937247.db2.gz JGJFPWAIBMSRRZ-UHFFFAOYSA-N 0 0 227.739 3.029 10 0 BGAERN CCc1nnc(Cl)n1[C@@H]1CCC[C@H](C)C1 ZINC000071053562 361937518 /nfs/dbraw/zinc/93/75/18/361937518.db2.gz YSEXNUFMRPZIKB-DTWKUNHWSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@H]1CCC[C@H](C)C1 ZINC000071053563 361937721 /nfs/dbraw/zinc/93/77/21/361937721.db2.gz YSEXNUFMRPZIKB-IUCAKERBSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@@H]1CCC[C@@H](C)C1 ZINC000071053566 361937936 /nfs/dbraw/zinc/93/79/36/361937936.db2.gz YSEXNUFMRPZIKB-RKDXNWHRSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1[C@H]1CCC[C@@H](C)C1 ZINC000071053569 361937419 /nfs/dbraw/zinc/93/74/19/361937419.db2.gz YSEXNUFMRPZIKB-BDAKNGLRSA-N 0 0 227.739 3.245 10 0 BGAERN CC(C)c1nnc(Cl)n1CC1CCCC1 ZINC000071053617 361937779 /nfs/dbraw/zinc/93/77/79/361937779.db2.gz ZGBLCXGLWGBERS-UHFFFAOYSA-N 0 0 227.739 3.245 10 0 BGAERN CCc1nnc(Cl)n1CC1CCCCC1 ZINC000071053658 361937509 /nfs/dbraw/zinc/93/75/09/361937509.db2.gz FMNMIEHQQSHTKS-UHFFFAOYSA-N 0 0 227.739 3.074 10 0 BGAERN C[C@@H](C1CC1)n1c(Cl)nnc1C(C)(C)C ZINC000071053694 361937864 /nfs/dbraw/zinc/93/78/64/361937864.db2.gz CLPALLJWDLTWJJ-ZETCQYMHSA-N 0 0 227.739 3.200 10 0 BGAERN C[C@H](C1CC1)n1c(Cl)nnc1C(C)(C)C ZINC000071053699 361937589 /nfs/dbraw/zinc/93/75/89/361937589.db2.gz CLPALLJWDLTWJJ-SSDOTTSWSA-N 0 0 227.739 3.200 10 0 BGAERN Cc1nnc(Cl)n1-c1cc(Cl)ccc1C ZINC000071053833 343959951 /nfs/dbraw/zinc/95/99/51/343959951.db2.gz DVUKPBVGLMFTCU-UHFFFAOYSA-N 0 0 242.109 3.191 10 0 BGAERN CCc1nnc(Cl)n1-c1cccc(Cl)c1 ZINC000071053868 361938171 /nfs/dbraw/zinc/93/81/71/361938171.db2.gz MDYMBNDRSPANQX-UHFFFAOYSA-N 0 0 242.109 3.137 10 0 BGAERN CCc1nnc(Cl)n1-c1ccc(Cl)cc1 ZINC000071053882 343959610 /nfs/dbraw/zinc/95/96/10/343959610.db2.gz LIHXGFQZEPGJLP-UHFFFAOYSA-N 0 0 242.109 3.137 10 0 BGAERN Clc1nncn1-c1ccc(Cl)c(Cl)c1 ZINC000071053896 361938883 /nfs/dbraw/zinc/93/88/83/361938883.db2.gz BWRHNBLYROMBPA-UHFFFAOYSA-N 0 0 248.500 3.228 10 0 BGAERN Clc1nncn1-c1cc(Cl)ccc1Cl ZINC000071053904 361938469 /nfs/dbraw/zinc/93/84/69/361938469.db2.gz SZVSESKEDYJSLT-UHFFFAOYSA-N 0 0 248.500 3.228 10 0 BGAERN Clc1nncn1-c1cc(Cl)cc(Cl)c1 ZINC000071053922 361938940 /nfs/dbraw/zinc/93/89/40/361938940.db2.gz VDUHGRKAULMBER-UHFFFAOYSA-N 0 0 248.500 3.228 10 0 BGAERN Cc1nnc(Cl)n1-c1ccc(C)c(Cl)c1 ZINC000071053929 361938799 /nfs/dbraw/zinc/93/87/99/361938799.db2.gz VDJCCBKEVBEVFR-UHFFFAOYSA-N 0 0 242.109 3.191 10 0 BGAERN CCc1nnc(Cl)n1-c1ccccc1Cl ZINC000071054007 361938704 /nfs/dbraw/zinc/93/87/04/361938704.db2.gz VWZYROWIOIYNGT-UHFFFAOYSA-N 0 0 242.109 3.137 10 0 BGAERN Clc1nncn1-c1cccc(Cl)c1Cl ZINC000071054081 361938509 /nfs/dbraw/zinc/93/85/09/361938509.db2.gz QYNLASHFJHMDJH-UHFFFAOYSA-N 0 0 248.500 3.228 10 0 BGAERN Cc1nnc(Cl)n1-c1ccc(F)c(Cl)c1 ZINC000071054110 361938493 /nfs/dbraw/zinc/93/84/93/361938493.db2.gz LZHWUBGEXOZLHA-UHFFFAOYSA-N 0 0 246.072 3.022 10 0 BGAERN CC(C)c1nnc(Cl)n1Cc1cccs1 ZINC000071054154 361938364 /nfs/dbraw/zinc/93/83/64/361938364.db2.gz DTCXKYMLBRBOEV-UHFFFAOYSA-N 0 0 241.747 3.165 10 0 BGAERN Cc1nnc(Cl)n1-c1cc(Cl)ccc1F ZINC000071054162 361938356 /nfs/dbraw/zinc/93/83/56/361938356.db2.gz MZEZSATUPWSAOT-UHFFFAOYSA-N 0 0 246.072 3.022 10 0 BGAERN CCc1nnc(Cl)n1[C@@H](C)c1cccs1 ZINC000071054226 361938378 /nfs/dbraw/zinc/93/83/78/361938378.db2.gz HFHOYWKQRRAZEC-ZETCQYMHSA-N 0 0 241.747 3.165 10 0 BGAERN CCc1nnc(Cl)n1[C@H](C)c1cccs1 ZINC000071054228 361938898 /nfs/dbraw/zinc/93/88/98/361938898.db2.gz HFHOYWKQRRAZEC-SSDOTTSWSA-N 0 0 241.747 3.165 10 0 BGAERN Cc1nnc(Cl)n1CCC1CCCCC1 ZINC000071054318 361938855 /nfs/dbraw/zinc/93/88/55/361938855.db2.gz NPAQKXQLBLYFER-UHFFFAOYSA-N 0 0 227.739 3.210 10 0 BGAERN CCc1nnc(Cl)n1[C@@H](C)c1ccsc1 ZINC000071055242 361938711 /nfs/dbraw/zinc/93/87/11/361938711.db2.gz VZPRALUXFMQYEX-ZETCQYMHSA-N 0 0 241.747 3.165 10 0 BGAERN CCc1nnc(Cl)n1[C@H](C)c1ccsc1 ZINC000071055248 361938728 /nfs/dbraw/zinc/93/87/28/361938728.db2.gz VZPRALUXFMQYEX-SSDOTTSWSA-N 0 0 241.747 3.165 10 0 BGAERN Cc1nnc(Cl)n1[C@@H](C)C1CCCCC1 ZINC000071055506 361939105 /nfs/dbraw/zinc/93/91/05/361939105.db2.gz YOXMJYXRHPEDLV-QMMMGPOBSA-N 0 0 227.739 3.381 10 0 BGAERN Cc1nnc(Cl)n1[C@H](C)C1CCCCC1 ZINC000071055511 361939361 /nfs/dbraw/zinc/93/93/61/361939361.db2.gz YOXMJYXRHPEDLV-MRVPVSSYSA-N 0 0 227.739 3.381 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@H]1CCC[C@H]1C ZINC000071055647 361939374 /nfs/dbraw/zinc/93/93/74/361939374.db2.gz HIWIZMSZZUOHOA-BDAKNGLRSA-N 0 0 227.739 3.416 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@H]1CCC[C@@H]1C ZINC000071055654 361939424 /nfs/dbraw/zinc/93/94/24/361939424.db2.gz HIWIZMSZZUOHOA-IUCAKERBSA-N 0 0 227.739 3.416 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@@H]1CCC[C@H]1C ZINC000071055658 361939521 /nfs/dbraw/zinc/93/95/21/361939521.db2.gz HIWIZMSZZUOHOA-RKDXNWHRSA-N 0 0 227.739 3.416 10 0 BGAERN CC(C)c1nnc(Cl)n1[C@@H]1CCC[C@@H]1C ZINC000071055661 361939614 /nfs/dbraw/zinc/93/96/14/361939614.db2.gz HIWIZMSZZUOHOA-DTWKUNHWSA-N 0 0 227.739 3.416 10 0 BGAERN Cc1nnc(Cl)n1[C@@H](C)Cc1cccs1 ZINC000071055750 361939692 /nfs/dbraw/zinc/93/96/92/361939692.db2.gz KVXXJKORQVYZDD-ZETCQYMHSA-N 0 0 241.747 3.105 10 0 BGAERN Cc1nnc(Cl)n1[C@H](C)Cc1cccs1 ZINC000071055754 361939120 /nfs/dbraw/zinc/93/91/20/361939120.db2.gz KVXXJKORQVYZDD-SSDOTTSWSA-N 0 0 241.747 3.105 10 0 BGAERN CC(C)c1nnc(Cl)n1CC(C)(C)C ZINC000071055849 361939714 /nfs/dbraw/zinc/93/97/14/361939714.db2.gz RJKKKMHECISWGR-UHFFFAOYSA-N 0 0 215.728 3.101 10 0 BGAERN CC(C)(C)Cn1c(Cl)nnc1C(C)(C)C ZINC000071055856 361939235 /nfs/dbraw/zinc/93/92/35/361939235.db2.gz BRTZWUAPPYNURF-UHFFFAOYSA-N 0 0 229.755 3.275 10 0 BGAERN Cc1nnc(Cl)n1CC1CCC(C)CC1 ZINC000071055900 361939153 /nfs/dbraw/zinc/93/91/53/361939153.db2.gz RBTNANDNCOTABQ-UHFFFAOYSA-N 0 0 227.739 3.066 10 0 BGAERN CC(C)c1nnc(Cl)n1Cc1ccsc1 ZINC000071055944 361939659 /nfs/dbraw/zinc/93/96/59/361939659.db2.gz DKWHPGMDTCRMIE-UHFFFAOYSA-N 0 0 241.747 3.165 10 0 BGAERN Cc1nnc(Cl)n1C[C@@H]1CCCC[C@@H]1C ZINC000071056015 361939047 /nfs/dbraw/zinc/93/90/47/361939047.db2.gz KPHPVZWXGXBHQF-WPRPVWTQSA-N 0 0 227.739 3.066 10 0 BGAERN Cc1nnc(Cl)n1C[C@H]1CCCC[C@@H]1C ZINC000071056018 361939565 /nfs/dbraw/zinc/93/95/65/361939565.db2.gz KPHPVZWXGXBHQF-WCBMZHEXSA-N 0 0 227.739 3.066 10 0 BGAERN Cc1nnc(Cl)n1C[C@@H]1CCCC[C@H]1C ZINC000071056021 361939641 /nfs/dbraw/zinc/93/96/41/361939641.db2.gz KPHPVZWXGXBHQF-SCZZXKLOSA-N 0 0 227.739 3.066 10 0 BGAERN Cc1nnc(Cl)n1C[C@H]1CCCC[C@H]1C ZINC000071056024 361939677 /nfs/dbraw/zinc/93/96/77/361939677.db2.gz KPHPVZWXGXBHQF-PSASIEDQSA-N 0 0 227.739 3.066 10 0 BGAERN Cc1cc([C@@H](C)n2cnnc2Cl)c(C)s1 ZINC000071056140 361939447 /nfs/dbraw/zinc/93/94/47/361939447.db2.gz IJEOXQSWOFKHTL-SSDOTTSWSA-N 0 0 241.747 3.219 10 0 BGAERN Cc1cc([C@H](C)n2cnnc2Cl)c(C)s1 ZINC000071056145 361939398 /nfs/dbraw/zinc/93/93/98/361939398.db2.gz IJEOXQSWOFKHTL-ZETCQYMHSA-N 0 0 241.747 3.219 10 0 BGAERN CC[C@@H](c1cccs1)n1c(C)nnc1Cl ZINC000071056194 361939256 /nfs/dbraw/zinc/93/92/56/361939256.db2.gz YOPSFVIIBMVMEJ-QMMMGPOBSA-N 0 0 241.747 3.301 10 0 BGAERN CC[C@H](c1cccs1)n1c(C)nnc1Cl ZINC000071056197 361939389 /nfs/dbraw/zinc/93/93/89/361939389.db2.gz YOPSFVIIBMVMEJ-MRVPVSSYSA-N 0 0 241.747 3.301 10 0 BGAERN CCC1CCC(n2c(C)nnc2Cl)CC1 ZINC000071056230 361939626 /nfs/dbraw/zinc/93/96/26/361939626.db2.gz ZEKHJFKPTVTMOC-UHFFFAOYSA-N 0 0 227.739 3.381 10 0 BGAERN C[C@@H](c1ccc(Cl)s1)n1cnnc1Cl ZINC000071056396 361939598 /nfs/dbraw/zinc/93/95/98/361939598.db2.gz RSZJGGZVIVBVFR-YFKPBYRVSA-N 0 0 248.138 3.256 10 0 BGAERN C[C@H](c1ccc(Cl)s1)n1cnnc1Cl ZINC000071056400 361939279 /nfs/dbraw/zinc/93/92/79/361939279.db2.gz RSZJGGZVIVBVFR-RXMQYKEDSA-N 0 0 248.138 3.256 10 0 BGAERN CC(C)[C@@H](c1cccs1)n1cnnc1Cl ZINC000071056627 343959918 /nfs/dbraw/zinc/95/99/18/343959918.db2.gz ADNNISPGFRVJGR-VIFPVBQESA-N 0 0 241.747 3.238 10 0 BGAERN CC(C)[C@H](c1cccs1)n1cnnc1Cl ZINC000071056630 361939607 /nfs/dbraw/zinc/93/96/07/361939607.db2.gz ADNNISPGFRVJGR-SECBINFHSA-N 0 0 241.747 3.238 10 0 BGAERN CCc1nnc(Cl)n1C1(C)CCCCC1 ZINC000071056691 361939174 /nfs/dbraw/zinc/93/91/74/361939174.db2.gz ANNLBGXSZGHLEX-UHFFFAOYSA-N 0 0 227.739 3.173 10 0 BGAERN C[C@@H](c1ccc(Cl)cc1)n1cnnc1Cl ZINC000071056734 361939097 /nfs/dbraw/zinc/93/90/97/361939097.db2.gz HTQKDEDSSJSHKX-ZETCQYMHSA-N 0 0 242.109 3.194 10 0 BGAERN C[C@H](c1ccc(Cl)cc1)n1cnnc1Cl ZINC000071056738 361939073 /nfs/dbraw/zinc/93/90/73/361939073.db2.gz HTQKDEDSSJSHKX-SSDOTTSWSA-N 0 0 242.109 3.194 10 0 BGAERN C[C@@H](c1cccc(Cl)c1)n1cnnc1Cl ZINC000071056817 361939306 /nfs/dbraw/zinc/93/93/06/361939306.db2.gz CPYWIFORTHVXFW-ZETCQYMHSA-N 0 0 242.109 3.194 10 0 BGAERN C[C@H](c1cccc(Cl)c1)n1cnnc1Cl ZINC000071056821 361939140 /nfs/dbraw/zinc/93/91/40/361939140.db2.gz CPYWIFORTHVXFW-SSDOTTSWSA-N 0 0 242.109 3.194 10 0 BGAERN CCCC1CCC(n2cnnc2Cl)CC1 ZINC000071056884 361939219 /nfs/dbraw/zinc/93/92/19/361939219.db2.gz MWFOOBZLBKHBKF-UHFFFAOYSA-N 0 0 227.739 3.463 10 0 BGAERN C[C@@H](c1ccccc1Cl)n1cnnc1Cl ZINC000071056919 361939161 /nfs/dbraw/zinc/93/91/61/361939161.db2.gz UXHSJYSDDPZAFL-ZETCQYMHSA-N 0 0 242.109 3.194 10 0 BGAERN C[C@H](c1ccccc1Cl)n1cnnc1Cl ZINC000071056923 361939559 /nfs/dbraw/zinc/93/95/59/361939559.db2.gz UXHSJYSDDPZAFL-SSDOTTSWSA-N 0 0 242.109 3.194 10 0 BGAERN Cc1nnc(Cl)n1-c1ccc(Cl)c(F)c1 ZINC000071057085 361940417 /nfs/dbraw/zinc/94/04/17/361940417.db2.gz NJGXYLVKMKTJGY-UHFFFAOYSA-N 0 0 246.072 3.022 10 0 BGAERN CC[C@@H]1CCCC[C@@H]1n1c(C)nnc1Cl ZINC000071057147 361940805 /nfs/dbraw/zinc/94/08/05/361940805.db2.gz PSVZSASBJJVDNB-ZJUUUORDSA-N 0 0 227.739 3.381 10 0 BGAERN CC[C@H]1CCCC[C@@H]1n1c(C)nnc1Cl ZINC000071057149 361940560 /nfs/dbraw/zinc/94/05/60/361940560.db2.gz PSVZSASBJJVDNB-UWVGGRQHSA-N 0 0 227.739 3.381 10 0 BGAERN CC[C@@H]1CCCC[C@H]1n1c(C)nnc1Cl ZINC000071057153 361940799 /nfs/dbraw/zinc/94/07/99/361940799.db2.gz PSVZSASBJJVDNB-NXEZZACHSA-N 0 0 227.739 3.381 10 0 BGAERN CC[C@H]1CCCC[C@H]1n1c(C)nnc1Cl ZINC000071057156 361940083 /nfs/dbraw/zinc/94/00/83/361940083.db2.gz PSVZSASBJJVDNB-VHSXEESVSA-N 0 0 227.739 3.381 10 0 BGAERN CC[C@@H]1CCCC[C@@H]1n1cnnc1Cl ZINC000071057160 361940068 /nfs/dbraw/zinc/94/00/68/361940068.db2.gz HPCNLANAURMYKN-BDAKNGLRSA-N 0 0 213.712 3.073 10 0 BGAERN CC[C@H]1CCCC[C@@H]1n1cnnc1Cl ZINC000071057163 361940571 /nfs/dbraw/zinc/94/05/71/361940571.db2.gz HPCNLANAURMYKN-IUCAKERBSA-N 0 0 213.712 3.073 10 0 BGAERN CC[C@@H]1CCCC[C@H]1n1cnnc1Cl ZINC000071057165 361940207 /nfs/dbraw/zinc/94/02/07/361940207.db2.gz HPCNLANAURMYKN-RKDXNWHRSA-N 0 0 213.712 3.073 10 0 BGAERN CC[C@H]1CCCC[C@H]1n1cnnc1Cl ZINC000071057169 361940483 /nfs/dbraw/zinc/94/04/83/361940483.db2.gz HPCNLANAURMYKN-DTWKUNHWSA-N 0 0 213.712 3.073 10 0 BGAERN Cc1nnc(Cl)n1[C@@H](C)Cc1ccsc1 ZINC000071057186 361940248 /nfs/dbraw/zinc/94/02/48/361940248.db2.gz VVLMXZUTOPZFPD-ZETCQYMHSA-N 0 0 241.747 3.105 10 0 BGAERN Cc1nnc(Cl)n1[C@H](C)Cc1ccsc1 ZINC000071057190 343959892 /nfs/dbraw/zinc/95/98/92/343959892.db2.gz VVLMXZUTOPZFPD-SSDOTTSWSA-N 0 0 241.747 3.105 10 0 BGAERN CCC1CCC(Cn2cnnc2Cl)CC1 ZINC000071057209 361940743 /nfs/dbraw/zinc/94/07/43/361940743.db2.gz NEMOODICXTURHO-UHFFFAOYSA-N 0 0 227.739 3.148 10 0 BGAERN Cc1ccc([C@@H](C)n2c(C)nnc2Cl)s1 ZINC000071057213 361940136 /nfs/dbraw/zinc/94/01/36/361940136.db2.gz CRVZGHXOSGYVNE-SSDOTTSWSA-N 0 0 241.747 3.219 10 0 BGAERN Cc1ccc([C@H](C)n2c(C)nnc2Cl)s1 ZINC000071057216 361940810 /nfs/dbraw/zinc/94/08/10/361940810.db2.gz CRVZGHXOSGYVNE-ZETCQYMHSA-N 0 0 241.747 3.219 10 0 BGAERN CC(C)(C)CC(C)(C)n1cnnc1Cl ZINC000071057256 343959822 /nfs/dbraw/zinc/95/98/22/343959822.db2.gz QYYHXWUVYIKFAE-UHFFFAOYSA-N 0 0 215.728 3.103 10 0 BGAERN Cc1nnc(Cl)n1-c1ccc(Cl)cc1F ZINC000071057345 361940601 /nfs/dbraw/zinc/94/06/01/361940601.db2.gz IFHXRVDEZMTXDL-UHFFFAOYSA-N 0 0 246.072 3.022 10 0 BGAERN CC(=O)c1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000071137023 361960473 /nfs/dbraw/zinc/96/04/73/361960473.db2.gz SHENSCBXRLJROW-SECBINFHSA-N 0 0 223.341 3.107 10 0 BGAERN CC(=O)c1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000071137024 361960924 /nfs/dbraw/zinc/96/09/24/361960924.db2.gz SHENSCBXRLJROW-VIFPVBQESA-N 0 0 223.341 3.107 10 0 BGAERN CCC[C@@H]1CCc2nc(C(C)=O)sc2C1 ZINC000071137057 343960979 /nfs/dbraw/zinc/96/09/79/343960979.db2.gz AOTTYMTZEGGONI-SECBINFHSA-N 0 0 223.341 3.251 10 0 BGAERN CCC[C@H]1CCc2nc(C(C)=O)sc2C1 ZINC000071137058 343960795 /nfs/dbraw/zinc/96/07/95/343960795.db2.gz AOTTYMTZEGGONI-VIFPVBQESA-N 0 0 223.341 3.251 10 0 BGAERN CC1CCC(CNc2nsnc2Cl)CC1 ZINC000071137717 343961124 /nfs/dbraw/zinc/96/11/24/343961124.db2.gz IRFPXBXBQOUAIO-UHFFFAOYSA-N 0 0 245.779 3.430 10 0 BGAERN CCC(C)(C)[C@H](O)c1ccc(CCOC)cc1 ZINC000071138154 168304742 /nfs/dbraw/zinc/30/47/42/168304742.db2.gz FPRSFHGQTFXAEW-CQSZACIVSA-N 0 0 236.355 3.345 10 0 BGAERN CCC(C)(C)[C@@H](O)c1ccc(CCOC)cc1 ZINC000071138155 168303830 /nfs/dbraw/zinc/30/38/30/168303830.db2.gz FPRSFHGQTFXAEW-AWEZNQCLSA-N 0 0 236.355 3.345 10 0 BGAERN Cc1cccc(-c2nc3cc[nH]cc-3n2)c1C ZINC000071166757 178996997 /nfs/dbraw/zinc/99/69/97/178996997.db2.gz SEAHCRXERLIGQO-UHFFFAOYSA-N 0 0 223.279 3.242 10 0 BGAERN c1ccc(CCCc2nc3cc[nH]cc-3n2)cc1 ZINC000071166761 183391655 /nfs/dbraw/zinc/39/16/55/183391655.db2.gz JGKRYJQEYGRBIC-UHFFFAOYSA-N 0 0 237.306 3.133 10 0 BGAERN c1cc2nc(CCC3CCCCC3)nc-2c[nH]1 ZINC000071166783 183376942 /nfs/dbraw/zinc/37/69/42/183376942.db2.gz CKGHWNQKZWRFPC-UHFFFAOYSA-N 0 0 229.327 3.471 10 0 BGAERN OCc1ccc(Oc2cc(F)ccc2F)cc1 ZINC000071167939 183165854 /nfs/dbraw/zinc/16/58/54/183165854.db2.gz LFVBVFBPPFNAIO-UHFFFAOYSA-N 0 0 236.217 3.249 10 0 BGAERN CCCNc1n[nH]c(C)c1-c1ccc(OC)cc1 ZINC000071170057 169293766 /nfs/dbraw/zinc/29/37/66/169293766.db2.gz USZXWQVVHSDTBR-UHFFFAOYSA-N 0 0 245.326 3.216 10 0 BGAERN Cc1c(Cl)nnc(OCc2ccccc2)c1C ZINC000071170655 374252339 /nfs/dbraw/zinc/25/23/39/374252339.db2.gz XSALCOWEXJFQEC-UHFFFAOYSA-N 0 0 248.713 3.326 10 0 BGAERN Cc1c(Cl)nnc(NCc2ccccc2)c1C ZINC000071171172 374253079 /nfs/dbraw/zinc/25/30/79/374253079.db2.gz CVHGGBCWBQFFCZ-UHFFFAOYSA-N 0 0 247.729 3.359 10 0 BGAERN C[C@@H]1CN(c2ccccc2C(C)(C)C)CCC1=O ZINC000071174413 132391889 /nfs/dbraw/zinc/39/18/89/132391889.db2.gz IBJVMXVNKCYLBT-GFCCVEGCSA-N 0 0 245.366 3.399 10 0 BGAERN C[C@H]1CN(c2ccccc2C(C)(C)C)CCC1=O ZINC000071174414 132391820 /nfs/dbraw/zinc/39/18/20/132391820.db2.gz IBJVMXVNKCYLBT-LBPRGKRZSA-N 0 0 245.366 3.399 10 0 BGAERN CSc1nc2ccc(Cl)nc2s1 ZINC000071186765 384154409 /nfs/dbraw/zinc/15/44/09/384154409.db2.gz SUYMXURAHBVKLQ-UHFFFAOYSA-N 0 0 216.718 3.067 10 0 BGAERN COc1ccc(-c2scc3c2OCCO3)cc1 ZINC000071186776 175044226 /nfs/dbraw/zinc/04/42/26/175044226.db2.gz XUQGMFYCGYHWKU-UHFFFAOYSA-N 0 0 248.303 3.195 10 0 BGAERN Cc1ccccc1Cn1nc(C(C)(C)C)cc1N ZINC000071187446 179295239 /nfs/dbraw/zinc/29/52/39/179295239.db2.gz HRPOFCZLYGJLPP-UHFFFAOYSA-N 0 0 243.354 3.120 10 0 BGAERN CC(C)c1nn(Cc2ccc(F)cc2)cc1C=O ZINC000071193366 167702493 /nfs/dbraw/zinc/70/24/93/167702493.db2.gz VBASUJBSHFYJDE-UHFFFAOYSA-N 0 0 246.285 3.006 10 0 BGAERN CC(=O)c1cnn(Cc2cccc(Cl)c2)c1C ZINC000071193858 384154566 /nfs/dbraw/zinc/15/45/66/384154566.db2.gz CHRZBFUEAGRVPE-UHFFFAOYSA-N 0 0 248.713 3.096 10 0 BGAERN C[C@@H]1CCC[C@@H]1Nc1ccc(N)c2cccnc12 ZINC000071206826 176132398 /nfs/dbraw/zinc/13/23/98/176132398.db2.gz PYBWPLIEMIVDJN-MFKMUULPSA-N 0 0 241.338 3.418 10 0 BGAERN C[C@H]1CCC[C@@H]1Nc1ccc(N)c2cccnc12 ZINC000071206827 177126820 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/nfs/dbraw/zinc/32/79/47/169327947.db2.gz XGWZZRYQESICOU-PWSUYJOCSA-N 0 0 249.358 3.053 10 0 BGAERN Cc1ccnc(Nc2ccc3c(c2)CCCN3)c1 ZINC000071214925 387097792 /nfs/dbraw/zinc/09/77/92/387097792.db2.gz ZMHBYOIMUTYUTR-UHFFFAOYSA-N 0 0 239.322 3.492 10 0 BGAERN Cc1cccc(Nc2ccc3c(c2)CCCN3)n1 ZINC000071214946 179159254 /nfs/dbraw/zinc/15/92/54/179159254.db2.gz MQKPWWOMXPQCBY-UHFFFAOYSA-N 0 0 239.322 3.492 10 0 BGAERN Fc1cccnc1Nc1ccc2c(c1)CCCN2 ZINC000071214965 181017469 /nfs/dbraw/zinc/01/74/69/181017469.db2.gz XGKZQZXLRJUDMO-UHFFFAOYSA-N 0 0 243.285 3.322 10 0 BGAERN Brc1cnc2c(c1)CCCCC2 ZINC000071260708 166104381 /nfs/dbraw/zinc/10/43/81/166104381.db2.gz FDBDZUQQRIOOPT-UHFFFAOYSA-N 0 0 226.117 3.113 10 0 BGAERN C=Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000071261358 188488268 /nfs/dbraw/zinc/48/82/68/188488268.db2.gz SEFTVOMSYWODOP-UHFFFAOYSA-N 0 0 226.301 3.133 10 0 BGAERN C=Cc1ccc(-c2ccc(C=C)cn2)nc1 ZINC000071261531 384156187 /nfs/dbraw/zinc/15/61/87/384156187.db2.gz RLSLVUNCQSJTCV-UHFFFAOYSA-N 0 0 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ZINC000071331374 187597308 /nfs/dbraw/zinc/59/73/08/187597308.db2.gz SBWMOMWKLCJURO-CYBMUJFWSA-N 0 0 218.300 3.234 10 0 BGAERN Cc1ccc([C@H](C)NCc2ncccc2C)o1 ZINC000071338904 387120986 /nfs/dbraw/zinc/12/09/86/387120986.db2.gz RNWJXHATVLNOOS-LBPRGKRZSA-N 0 0 230.311 3.142 10 0 BGAERN Cc1ccc([C@@H](C)NCc2ncccc2C)o1 ZINC000071338905 387121198 /nfs/dbraw/zinc/12/11/98/387121198.db2.gz RNWJXHATVLNOOS-GFCCVEGCSA-N 0 0 230.311 3.142 10 0 BGAERN Cc1nc([C@H](C)NCc2ncccc2C)cs1 ZINC000071339677 180051669 /nfs/dbraw/zinc/05/16/69/180051669.db2.gz GSNRYTQLACKHGN-JTQLQIEISA-N 0 0 247.367 3.006 10 0 BGAERN Cc1nc([C@@H](C)NCc2ncccc2C)cs1 ZINC000071339678 180036793 /nfs/dbraw/zinc/03/67/93/180036793.db2.gz GSNRYTQLACKHGN-SNVBAGLBSA-N 0 0 247.367 3.006 10 0 BGAERN Cc1cccnc1CNc1c(N)cccc1Cl ZINC000071339764 179384903 /nfs/dbraw/zinc/38/49/03/179384903.db2.gz NFOHAVFBVVRABE-UHFFFAOYSA-N 0 0 247.729 3.238 10 0 BGAERN CCC(CC)(CF)[NH2+]Cc1ccccc1 ZINC000071372378 168321119 /nfs/dbraw/zinc/32/11/19/168321119.db2.gz NDRCZEXDLSMZOG-UHFFFAOYSA-N 0 0 209.308 3.305 10 0 BGAERN CC(C)(C)c1ccnc(-c2cccc(N)c2)n1 ZINC000071397932 187275348 /nfs/dbraw/zinc/27/53/48/187275348.db2.gz BIHRHHXKOGSEKE-UHFFFAOYSA-N 0 0 227.311 3.023 10 0 BGAERN Cc1cc(C(C)C)nc(-c2cccc(N)c2)n1 ZINC000071397940 177831157 /nfs/dbraw/zinc/83/11/57/177831157.db2.gz NPMZVQJVWROXIF-UHFFFAOYSA-N 0 0 227.311 3.158 10 0 BGAERN Cc1cc(C(C)(C)C)nc(-c2cccc(N)c2)n1 ZINC000071397953 177829055 /nfs/dbraw/zinc/82/90/55/177829055.db2.gz ANBOZEKFKFBRFY-UHFFFAOYSA-N 0 0 241.338 3.332 10 0 BGAERN CC(C)(C)c1ccnc(-c2ccc(N)cc2)n1 ZINC000071397958 187275563 /nfs/dbraw/zinc/27/55/63/187275563.db2.gz LUPGCIJOTWDJPD-UHFFFAOYSA-N 0 0 227.311 3.023 10 0 BGAERN Cc1cc(C(C)C)nc(-c2ccc(N)cc2)n1 ZINC000071397966 177830783 /nfs/dbraw/zinc/83/07/83/177830783.db2.gz OBGZPZCSORWVCP-UHFFFAOYSA-N 0 0 227.311 3.158 10 0 BGAERN Cc1ccc2oc(C(=O)c3cccnc3)cc2c1 ZINC000071406434 178988390 /nfs/dbraw/zinc/98/83/90/178988390.db2.gz DPUFJOALVGTAFX-UHFFFAOYSA-N 0 0 237.258 3.367 10 0 BGAERN Cc1ccc2oc([C@@H](N)c3ccncc3)cc2c1 ZINC000071406795 188130623 /nfs/dbraw/zinc/13/06/23/188130623.db2.gz PKWNRIWNUPBBLI-HNNXBMFYSA-N 0 0 238.290 3.184 10 0 BGAERN Cc1ccncc1N[C@@H]1CCc2ccccc21 ZINC000071413402 359079516 /nfs/dbraw/zinc/07/95/16/359079516.db2.gz WHHLMOWCOGYPGS-CQSZACIVSA-N 0 0 224.307 3.489 10 0 BGAERN Cc1ccncc1N[C@H]1CCc2ccccc21 ZINC000071413403 359079199 /nfs/dbraw/zinc/07/91/99/359079199.db2.gz WHHLMOWCOGYPGS-AWEZNQCLSA-N 0 0 224.307 3.489 10 0 BGAERN Cc1ccncc1NCc1cc(C)c(O)c(C)c1 ZINC000071413610 384166540 /nfs/dbraw/zinc/16/65/40/384166540.db2.gz NRHGVILMTCQUGW-UHFFFAOYSA-N 0 0 242.322 3.325 10 0 BGAERN Cc1ccncc1N[C@@H](C)CCc1ccco1 ZINC000071413652 350106746 /nfs/dbraw/zinc/10/67/46/350106746.db2.gz JXPSVZMGIAGPAH-LBPRGKRZSA-N 0 0 230.311 3.416 10 0 BGAERN Cc1ccncc1N[C@H](C)CCc1ccco1 ZINC000071413653 350106730 /nfs/dbraw/zinc/10/67/30/350106730.db2.gz JXPSVZMGIAGPAH-GFCCVEGCSA-N 0 0 230.311 3.416 10 0 BGAERN Cc1ccncc1N[C@@H]1CCc2ccccc2C1 ZINC000071413781 325073950 /nfs/dbraw/zinc/07/39/50/325073950.db2.gz SWZDWZVIGJPENH-OAHLLOKOSA-N 0 0 238.334 3.359 10 0 BGAERN Cc1ccncc1N[C@H]1CCc2ccccc2C1 ZINC000071413782 325073515 /nfs/dbraw/zinc/07/35/15/325073515.db2.gz SWZDWZVIGJPENH-HNNXBMFYSA-N 0 0 238.334 3.359 10 0 BGAERN CC(C)(Br)C(=O)c1cccs1 ZINC000071423429 187959874 /nfs/dbraw/zinc/95/98/74/187959874.db2.gz OTCNZSRLFNSMBR-UHFFFAOYSA-N 0 0 233.130 3.104 10 0 BGAERN COc1ccc(CC(C)(C)Br)cc1 ZINC000071424262 175087300 /nfs/dbraw/zinc/08/73/00/175087300.db2.gz NWTQSKODOKBYOI-UHFFFAOYSA-N 0 0 243.144 3.411 10 0 BGAERN COc1cccc(CC(C)(C)Br)c1 ZINC000071424266 175250954 /nfs/dbraw/zinc/25/09/54/175250954.db2.gz QMIXJTFNYOWUTR-UHFFFAOYSA-N 0 0 243.144 3.411 10 0 BGAERN COc1ccccc1CC(C)(C)Br ZINC000071424281 175321897 /nfs/dbraw/zinc/32/18/97/175321897.db2.gz FHZFFNVPCIDYJS-UHFFFAOYSA-N 0 0 243.144 3.411 10 0 BGAERN CCC(=O)c1cc(C(F)(F)F)ccc1OC ZINC000071445310 168254743 /nfs/dbraw/zinc/25/47/43/168254743.db2.gz AGORHTNBJNGJJM-UHFFFAOYSA-N 0 0 232.201 3.307 10 0 BGAERN COc1ccc(C(F)(F)F)cc1C(=O)C1CC1 ZINC000071445329 175069880 /nfs/dbraw/zinc/06/98/80/175069880.db2.gz WBLIYSOCKYWRGB-UHFFFAOYSA-N 0 0 244.212 3.307 10 0 BGAERN COc1ccc2ccccc2c1C(=O)C1CC1 ZINC000071445659 175225547 /nfs/dbraw/zinc/22/55/47/175225547.db2.gz KSLZIJWJQCPFAF-UHFFFAOYSA-N 0 0 226.275 3.441 10 0 BGAERN CCNc1ccc(OC)c2ccccc12 ZINC000071451009 170174552 /nfs/dbraw/zinc/17/45/52/170174552.db2.gz GTYQPXXNWSRFPN-UHFFFAOYSA-N 0 0 201.269 3.280 10 0 BGAERN CC(C)Oc1ccc(O)cc1C(C)(C)C ZINC000071452344 167297677 /nfs/dbraw/zinc/29/76/77/167297677.db2.gz WNEUYRHZYOSITP-UHFFFAOYSA-N 0 0 208.301 3.477 10 0 BGAERN CC(C)Oc1ccc(C(C)(C)C)cc1O ZINC000071452840 167291602 /nfs/dbraw/zinc/29/16/02/167291602.db2.gz LVWDGCXOVCDQAF-UHFFFAOYSA-N 0 0 208.301 3.477 10 0 BGAERN CSc1ccc(Cl)cc1[C@H](C)O ZINC000071454266 175576542 /nfs/dbraw/zinc/57/65/42/175576542.db2.gz PFLGQIDNQFKXNW-LURJTMIESA-N 0 0 202.706 3.115 10 0 BGAERN CC[C@H](O)c1cc(Cl)c(C)cc1OC ZINC000071454642 171580489 /nfs/dbraw/zinc/58/04/89/171580489.db2.gz YJSCCLCRKDKEIC-JTQLQIEISA-N 0 0 214.692 3.100 10 0 BGAERN CCNc1cc(Cl)c(C)cc1OCC ZINC000071454664 170172471 /nfs/dbraw/zinc/17/24/71/170172471.db2.gz MVYQCMGQCPMDBJ-UHFFFAOYSA-N 0 0 213.708 3.479 10 0 BGAERN CCCOc1cc(C)c(Cl)cc1NC ZINC000071454716 169314750 /nfs/dbraw/zinc/31/47/50/169314750.db2.gz MTVNHBNYXSAYOW-UHFFFAOYSA-N 0 0 213.708 3.479 10 0 BGAERN Cc1cc(OCC(C)C)c(N)cc1Cl ZINC000071454757 178209587 /nfs/dbraw/zinc/20/95/87/178209587.db2.gz OBUKJYPYECEADQ-UHFFFAOYSA-N 0 0 213.708 3.265 10 0 BGAERN CCNc1c(C)c(Cl)c(C)cc1OC ZINC000071454959 170171509 /nfs/dbraw/zinc/17/15/09/170171509.db2.gz SBILCZJSQWSUSQ-UHFFFAOYSA-N 0 0 213.708 3.397 10 0 BGAERN CC[C@H](O)c1c(O)cc(C)c(Cl)c1C ZINC000071455016 171580955 /nfs/dbraw/zinc/58/09/55/171580955.db2.gz IYYVPXTYAXQWEX-QMMMGPOBSA-N 0 0 214.692 3.106 10 0 BGAERN CC(C)c1cc(Cl)cc([C@@H](C)O)c1O ZINC000071455811 167571783 /nfs/dbraw/zinc/57/17/83/167571783.db2.gz KJIVNBUFHXQDAT-SSDOTTSWSA-N 0 0 214.692 3.222 10 0 BGAERN CC(C)c1cc(Cl)cc([C@H](C)O)c1O ZINC000071455812 167571615 /nfs/dbraw/zinc/57/16/15/167571615.db2.gz KJIVNBUFHXQDAT-ZETCQYMHSA-N 0 0 214.692 3.222 10 0 BGAERN CCCOc1cc(C)c(N)cc1C(C)C ZINC000071456111 169314918 /nfs/dbraw/zinc/31/49/18/169314918.db2.gz OLEIAYAYSDZLDZ-UHFFFAOYSA-N 0 0 207.317 3.489 10 0 BGAERN Cc1cc(OC(C)C)c(C(C)C)cc1N ZINC000071456161 178206276 /nfs/dbraw/zinc/20/62/76/178206276.db2.gz FWZBUTBLHDXQSF-UHFFFAOYSA-N 0 0 207.317 3.488 10 0 BGAERN CCC(=O)c1c(C)c(Cl)cc(C)c1O ZINC000071457022 168254010 /nfs/dbraw/zinc/25/40/10/168254010.db2.gz CBKOUAFCTZHKOR-UHFFFAOYSA-N 0 0 212.676 3.255 10 0 BGAERN CC[C@@H](O)c1c(C)c(Cl)cc(C)c1O ZINC000071457050 170938092 /nfs/dbraw/zinc/93/80/92/170938092.db2.gz BWAHNIIHFRITIA-SECBINFHSA-N 0 0 214.692 3.106 10 0 BGAERN CCNc1c(C)c(Cl)cc(C)c1OC ZINC000071457093 170170224 /nfs/dbraw/zinc/17/02/24/170170224.db2.gz CNOAWMDNVRLCHI-UHFFFAOYSA-N 0 0 213.708 3.397 10 0 BGAERN COc1c(C)cc(Cl)c(C)c1[C@H](C)O ZINC000071457102 188305568 /nfs/dbraw/zinc/30/55/68/188305568.db2.gz XXFFNQWJTYKVAX-QMMMGPOBSA-N 0 0 214.692 3.019 10 0 BGAERN CCCOc1c(C)cc(Cl)c(C)c1N ZINC000071457189 169313296 /nfs/dbraw/zinc/31/32/96/169313296.db2.gz GJNVYNPSWRGFIB-UHFFFAOYSA-N 0 0 213.708 3.328 10 0 BGAERN Cc1cc(Cl)c(C)c(N)c1OC(C)C ZINC000071457231 178060328 /nfs/dbraw/zinc/06/03/28/178060328.db2.gz FGKFLUSAPUORPK-UHFFFAOYSA-N 0 0 213.708 3.326 10 0 BGAERN CCNc1cc(Cl)cc(Cl)c1O ZINC000071462850 170172353 /nfs/dbraw/zinc/17/23/53/170172353.db2.gz KOBORJAZJQPAMP-UHFFFAOYSA-N 0 0 206.072 3.131 10 0 BGAERN CCNc1cc(Cl)cc(Cl)c1OC ZINC000071462893 170171749 /nfs/dbraw/zinc/17/17/49/170171749.db2.gz ZBQJOCCESREWDW-UHFFFAOYSA-N 0 0 220.099 3.434 10 0 BGAERN CC[C@H](O)c1cc(Cl)cc(Cl)c1OC ZINC000071462903 171580713 /nfs/dbraw/zinc/58/07/13/171580713.db2.gz RYHVTLMPHKVJPU-VIFPVBQESA-N 0 0 235.110 3.445 10 0 BGAERN CCOc1ccc(C(=O)CC)c(CC)c1 ZINC000071463331 170536252 /nfs/dbraw/zinc/53/62/52/170536252.db2.gz CHHHSVWDKONXDU-UHFFFAOYSA-N 0 0 206.285 3.240 10 0 BGAERN Cc1cccc2c1[nH]c(Cl)c2[C@@H](C)O ZINC000071465222 179212455 /nfs/dbraw/zinc/21/24/55/179212455.db2.gz XEIOPKDPMOFABF-SSDOTTSWSA-N 0 0 209.676 3.183 10 0 BGAERN Cc1cccc2c1[nH]c(Cl)c2[C@H](C)O ZINC000071465223 179212591 /nfs/dbraw/zinc/21/25/91/179212591.db2.gz XEIOPKDPMOFABF-ZETCQYMHSA-N 0 0 209.676 3.183 10 0 BGAERN CC(=O)c1c(Cl)[nH]c2c1cccc2C ZINC000071465224 166434858 /nfs/dbraw/zinc/43/48/58/166434858.db2.gz SXABTHHWIBLHCK-UHFFFAOYSA-N 0 0 207.660 3.332 10 0 BGAERN Cn1c(Cl)c(C=O)c2cc(Cl)ccc21 ZINC000071465314 180619373 /nfs/dbraw/zinc/61/93/73/180619373.db2.gz AOOGRFZRBSETHG-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN C[C@H](O)c1c(Cl)[nH]c2ccc(F)cc21 ZINC000071465367 177016072 /nfs/dbraw/zinc/01/60/72/177016072.db2.gz YZNSBEKAWRAKGC-YFKPBYRVSA-N 0 0 213.639 3.014 10 0 BGAERN Cc1cc2[nH]c(Cl)c(C=O)c2cc1C ZINC000071465709 178277213 /nfs/dbraw/zinc/27/72/13/178277213.db2.gz ATZHQDRUEZFJMT-UHFFFAOYSA-N 0 0 207.660 3.251 10 0 BGAERN C[C@H](O)c1c(Cl)[nH]c2c1cccc2F ZINC000071465911 177015510 /nfs/dbraw/zinc/01/55/10/177015510.db2.gz HKESNNZOTJZTLO-YFKPBYRVSA-N 0 0 213.639 3.014 10 0 BGAERN CC(=O)c1c(Cl)[nH]c2c1cccc2F ZINC000071465913 166433907 /nfs/dbraw/zinc/43/39/07/166433907.db2.gz GDJBXCHAQNNXBG-UHFFFAOYSA-N 0 0 211.623 3.163 10 0 BGAERN Cn1c(Cl)c(C=O)c2cccc(Cl)c21 ZINC000071466005 180619626 /nfs/dbraw/zinc/61/96/26/180619626.db2.gz BGLQCWGLNSCPLL-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN Cc1c2[nH]c(Cl)c(CO)c2ccc1Cl ZINC000071466118 177598480 /nfs/dbraw/zinc/59/84/80/177598480.db2.gz AHLCZYDQMWPAGM-UHFFFAOYSA-N 0 0 230.094 3.275 10 0 BGAERN Cc1ccc2c(c1)[nH]c(Cl)c2[C@@H](C)O ZINC000071466331 178942120 /nfs/dbraw/zinc/94/21/20/178942120.db2.gz KLAYBRJUIVASHH-SSDOTTSWSA-N 0 0 209.676 3.183 10 0 BGAERN Cn1c(Cl)c(C=O)c2ccc(Cl)cc21 ZINC000071466426 384910831 /nfs/dbraw/zinc/91/08/31/384910831.db2.gz XLXWVCGEDRMOHP-UHFFFAOYSA-N 0 0 228.078 3.298 10 0 BGAERN Cc1cc(Cl)n2nc(-c3cccs3)cc2n1 ZINC000071466601 178070979 /nfs/dbraw/zinc/07/09/79/178070979.db2.gz ABVHWQWPGHTFLK-UHFFFAOYSA-N 0 0 249.726 3.420 10 0 BGAERN Cc1nc2cc(C(C)C)nn2c(Cl)c1C ZINC000071466604 180078541 /nfs/dbraw/zinc/07/85/41/180078541.db2.gz YCVNXCWHGDPBOY-UHFFFAOYSA-N 0 0 223.707 3.123 10 0 BGAERN Cc1nc2cc(C(C)(C)C)nn2c(Cl)c1C ZINC000071466605 180077182 /nfs/dbraw/zinc/07/71/82/180077182.db2.gz HFAKLRYWLVPDEB-UHFFFAOYSA-N 0 0 237.734 3.297 10 0 BGAERN CCc1cc(Cl)n2nc(C(C)C)cc2n1 ZINC000071466719 171759526 /nfs/dbraw/zinc/75/95/26/171759526.db2.gz GNUGGOJIMKANFK-UHFFFAOYSA-N 0 0 223.707 3.069 10 0 BGAERN Cc1cc2nc(-c3ccccc3)cc(Cl)n2n1 ZINC000071466753 178300017 /nfs/dbraw/zinc/30/00/17/178300017.db2.gz YUKXHNQCNKFKAP-UHFFFAOYSA-N 0 0 243.697 3.358 10 0 BGAERN CC(C)c1c(Cl)nc2ccnn2c1Cl ZINC000071476504 388444396 /nfs/dbraw/zinc/44/43/96/388444396.db2.gz KZNQJUXUMWBNMR-UHFFFAOYSA-N 0 0 230.098 3.160 10 0 BGAERN Cc1cc2nc(Cl)c(C(C)C)c(Cl)n2n1 ZINC000071476532 178302401 /nfs/dbraw/zinc/30/24/01/178302401.db2.gz BGRVLYVWMZVTIA-UHFFFAOYSA-N 0 0 244.125 3.468 10 0 BGAERN CCc1cc2ccccn2c1Br ZINC000071477143 171776605 /nfs/dbraw/zinc/77/66/05/171776605.db2.gz BLYLBHMVALBJDC-UHFFFAOYSA-N 0 0 224.101 3.264 10 0 BGAERN Oc1c(Br)ccc2ccc(F)cc12 ZINC000071477599 183252542 /nfs/dbraw/zinc/25/25/42/183252542.db2.gz NJMKBZPJRXJEAU-UHFFFAOYSA-N 0 0 241.059 3.447 10 0 BGAERN Nc1cccc2oc(C3CCCCC3)nc21 ZINC000071477724 181750206 /nfs/dbraw/zinc/75/02/06/181750206.db2.gz HFIIKTYUBQYCGD-UHFFFAOYSA-N 0 0 216.284 3.458 10 0 BGAERN COc1cc2ccnc(Cl)c2cc1C ZINC000071482457 175027586 /nfs/dbraw/zinc/02/75/86/175027586.db2.gz DWMRLGYYUGVOEO-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN COc1ccc(C)c2ccnc(Cl)c12 ZINC000071482465 175071898 /nfs/dbraw/zinc/07/18/98/175071898.db2.gz PAUMQFPRWRYWFK-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN COc1ccc(F)c2ccnc(Cl)c12 ZINC000071482480 175126878 /nfs/dbraw/zinc/12/68/78/175126878.db2.gz WCCABMQLZCERRE-UHFFFAOYSA-N 0 0 211.623 3.036 10 0 BGAERN Cc1ccc2c(Br)nccc2c1 ZINC000071482500 178937885 /nfs/dbraw/zinc/93/78/85/178937885.db2.gz BLVBXHNKIBTDPN-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN Fc1ccc2c(Br)nccc2c1 ZINC000071482508 180984579 /nfs/dbraw/zinc/98/45/79/180984579.db2.gz WJLWKPCARWIZMJ-UHFFFAOYSA-N 0 0 226.048 3.136 10 0 BGAERN COc1ccc2c(Br)nccc2c1 ZINC000071482511 175203770 /nfs/dbraw/zinc/20/37/70/175203770.db2.gz CDEUKMWYVZMNFN-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN Cc1ccc2ccnc(Br)c2c1 ZINC000071482516 537894390 /nfs/dbraw/zinc/89/43/90/537894390.db2.gz HKWBLZVGTIIZQZ-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN COc1ccc2ccnc(Br)c2c1 ZINC000071482520 175226640 /nfs/dbraw/zinc/22/66/40/175226640.db2.gz KCGNNDOEGPSUBN-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN COc1cccc2ccnc(Br)c21 ZINC000071482526 175307853 /nfs/dbraw/zinc/30/78/53/175307853.db2.gz VAEDWVLWLKIXEX-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN Cc1cccc2ccnc(Br)c12 ZINC000071482535 179228404 /nfs/dbraw/zinc/22/84/04/179228404.db2.gz BAIPIEBDVAYGBA-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN Cc1cc2c(ccnc2Br)cc1F ZINC000071482551 178278849 /nfs/dbraw/zinc/27/88/49/178278849.db2.gz RTFRFFVVLWTNOA-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Brc1nccc2ccsc21 ZINC000071482552 398153755 /nfs/dbraw/zinc/15/37/55/398153755.db2.gz STVXAGCPRYSKAZ-UHFFFAOYSA-N 0 0 214.087 3.059 10 0 BGAERN CC(C)[C@@H]1Cc2cc(Br)ccc2N1 ZINC000071484663 388094806 /nfs/dbraw/zinc/09/48/06/388094806.db2.gz GGGYARMYNBARFW-NSHDSACASA-N 0 0 240.144 3.442 10 0 BGAERN CC(C)[C@H]1Cc2cc(Br)ccc2N1 ZINC000071484665 167507251 /nfs/dbraw/zinc/50/72/51/167507251.db2.gz GGGYARMYNBARFW-LLVKDONJSA-N 0 0 240.144 3.442 10 0 BGAERN CC(C)[C@H]1Cc2cccc(Br)c2N1 ZINC000071484702 167507702 /nfs/dbraw/zinc/50/77/02/167507702.db2.gz AXERCSGVDXXLQY-SNVBAGLBSA-N 0 0 240.144 3.442 10 0 BGAERN c1sc(-c2ccccc2)nc1[C@H]1CCC[NH2+]1 ZINC000071484801 183383270 /nfs/dbraw/zinc/38/32/70/183383270.db2.gz VZLBDZZPBWSKFZ-LLVKDONJSA-N 0 0 230.336 3.235 10 0 BGAERN CCc1cccc2c1NCC21CCCC1 ZINC000071484986 387152668 /nfs/dbraw/zinc/15/26/68/387152668.db2.gz BFTMWUBCHBCTGG-UHFFFAOYSA-N 0 0 201.313 3.486 10 0 BGAERN CC[C@@H]1CNc2ccc(Br)cc21 ZINC000071486474 171102427 /nfs/dbraw/zinc/10/24/27/171102427.db2.gz JYAPKXVCYCPSOJ-SSDOTTSWSA-N 0 0 226.117 3.368 10 0 BGAERN CC[C@H]1CNc2ccc(Br)cc21 ZINC000071486476 387152663 /nfs/dbraw/zinc/15/26/63/387152663.db2.gz JYAPKXVCYCPSOJ-ZETCQYMHSA-N 0 0 226.117 3.368 10 0 BGAERN CC(=O)c1c[nH]c2c1cccc2C(C)C ZINC000071487606 398154105 /nfs/dbraw/zinc/15/41/05/398154105.db2.gz FGUXZBXJCLRNGH-UHFFFAOYSA-N 0 0 201.269 3.494 10 0 BGAERN Cc1ccc2[nH]cc(C(=O)C(C)C)c2c1 ZINC000071487613 388095222 /nfs/dbraw/zinc/09/52/22/388095222.db2.gz LFCFQFSPJJJCHC-UHFFFAOYSA-N 0 0 201.269 3.315 10 0 BGAERN COc1cccc2[nH]cc(C(=O)C(C)C)c21 ZINC000071487628 175297237 /nfs/dbraw/zinc/29/72/37/175297237.db2.gz FNIZFNDJMYOFPD-UHFFFAOYSA-N 0 0 217.268 3.015 10 0 BGAERN Cc1cccc2c(C(=O)C(C)C)c[nH]c21 ZINC000071487630 179209018 /nfs/dbraw/zinc/20/90/18/179209018.db2.gz 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C[C@H]1CCc2c(Br)cccc2C1=O ZINC000071489002 177208483 /nfs/dbraw/zinc/20/84/83/177208483.db2.gz REEMUVJIYDTCCH-ZETCQYMHSA-N 0 0 239.112 3.214 10 0 BGAERN C[C@@H]1CCc2sc(Cl)cc2C1=O ZINC000071489005 176241006 /nfs/dbraw/zinc/24/10/06/176241006.db2.gz PKOYMUIHFCHXHU-RXMQYKEDSA-N 0 0 200.690 3.167 10 0 BGAERN C[C@H]1CCc2sc(Cl)cc2C1=O ZINC000071489007 177210780 /nfs/dbraw/zinc/21/07/80/177210780.db2.gz PKOYMUIHFCHXHU-YFKPBYRVSA-N 0 0 200.690 3.167 10 0 BGAERN Cc1cc(-c2ccc(Br)cc2)ncn1 ZINC000071491485 177681799 /nfs/dbraw/zinc/68/17/99/177681799.db2.gz XTMQAPNRIJNBTF-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN CC(=O)c1cn(C)c2c1cccc2Cl ZINC000071492570 166486155 /nfs/dbraw/zinc/48/61/55/166486155.db2.gz KAHHKDWSFCTODG-UHFFFAOYSA-N 0 0 207.660 3.034 10 0 BGAERN COc1cccc2c1c(C(=O)C(C)C)cn2C ZINC000071492585 175305764 /nfs/dbraw/zinc/30/57/64/175305764.db2.gz BTUUBIGWBQYJON-UHFFFAOYSA-N 0 0 231.295 3.026 10 0 BGAERN Cn1cc(C(=O)C2CC2)c2ccc(Cl)cc21 ZINC000071492622 180630799 /nfs/dbraw/zinc/63/07/99/180630799.db2.gz QLXSJBREZZAWQX-UHFFFAOYSA-N 0 0 233.698 3.424 10 0 BGAERN COc1cccc2c1c(C(=O)C1CCC1)cn2C ZINC000071492645 175306027 /nfs/dbraw/zinc/30/60/27/175306027.db2.gz FKEXANURAPPDCM-UHFFFAOYSA-N 0 0 243.306 3.170 10 0 BGAERN COc1ccc2c(c1)[nH]c(C)c2Br ZINC000071494950 175203920 /nfs/dbraw/zinc/20/39/20/175203920.db2.gz ILDVAPHHPOAINE-UHFFFAOYSA-N 0 0 240.100 3.247 10 0 BGAERN COc1cccc2[nH]c(C)c(Br)c21 ZINC000071494951 175297743 /nfs/dbraw/zinc/29/77/43/175297743.db2.gz QNIICFOJGJCZIK-UHFFFAOYSA-N 0 0 240.100 3.247 10 0 BGAERN COc1cccc2c(Br)c(C)[nH]c21 ZINC000071494957 175297973 /nfs/dbraw/zinc/29/79/73/175297973.db2.gz GLTZWVFLPXPSGL-UHFFFAOYSA-N 0 0 240.100 3.247 10 0 BGAERN Cc1c(Br)c2ccc(F)cc2n1C ZINC000071494975 188488908 /nfs/dbraw/zinc/48/89/08/188488908.db2.gz MBKABFWBTGJHQU-UHFFFAOYSA-N 0 0 242.091 3.388 10 0 BGAERN CC1(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000071508031 343964512 /nfs/dbraw/zinc/96/45/12/343964512.db2.gz ZOLIWCKICBTAEP-UHFFFAOYSA-N 0 0 200.281 3.158 10 0 BGAERN CC1(C(=O)c2ccc(Cl)s2)CC1 ZINC000071508132 343964431 /nfs/dbraw/zinc/96/44/31/343964431.db2.gz HHIRTNRDKVVKLE-UHFFFAOYSA-N 0 0 200.690 3.384 10 0 BGAERN CCC(=O)c1c(C)n(C)c2ccccc21 ZINC000071508231 168253244 /nfs/dbraw/zinc/25/32/44/168253244.db2.gz ACXDGCQWXNEOFL-UHFFFAOYSA-N 0 0 201.269 3.079 10 0 BGAERN CC(=O)C1(Cc2cc(C)ccc2C)CC1 ZINC000071508461 384170113 /nfs/dbraw/zinc/17/01/13/384170113.db2.gz ZRDKRWLOSXOXBR-UHFFFAOYSA-N 0 0 202.297 3.215 10 0 BGAERN CC(=O)c1ccc(NC2CCCC2)cc1 ZINC000071508664 166466024 /nfs/dbraw/zinc/46/60/24/166466024.db2.gz VZSBPBAYMAFUKT-UHFFFAOYSA-N 0 0 203.285 3.244 10 0 BGAERN CNc1cc(Cl)c(OC)cc1Cl ZINC000071509922 173473329 /nfs/dbraw/zinc/47/33/29/173473329.db2.gz KGJQXXPOKWQXDW-UHFFFAOYSA-N 0 0 206.072 3.044 10 0 BGAERN Cc1ccc(-c2nnc(Cl)o2)cc1C ZINC000071511363 178341330 /nfs/dbraw/zinc/34/13/30/178341330.db2.gz HUGPYQJNSVOAKS-UHFFFAOYSA-N 0 0 208.648 3.007 10 0 BGAERN CC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000071511374 188305676 /nfs/dbraw/zinc/30/56/76/188305676.db2.gz ZBWCGNDEQZGEOJ-UHFFFAOYSA-N 0 0 208.688 3.252 10 0 BGAERN CCC(=O)c1cc(Cl)c(OC)cc1C ZINC000071518583 168254501 /nfs/dbraw/zinc/25/45/01/168254501.db2.gz BTKVIVVFZPBRNC-UHFFFAOYSA-N 0 0 212.676 3.250 10 0 BGAERN CCOc1cc(C)c([C@H]2CO2)cc1Cl ZINC000071518585 170520134 /nfs/dbraw/zinc/52/01/34/170520134.db2.gz IYQXBFYFTYORAM-LLVKDONJSA-N 0 0 212.676 3.118 10 0 BGAERN CC(C)Oc1ccc([C@@H]2CO2)cc1Cl ZINC000071518587 167299310 /nfs/dbraw/zinc/29/93/10/167299310.db2.gz WPMWYUZCBZVDPE-NSHDSACASA-N 0 0 212.676 3.199 10 0 BGAERN CC(C)Oc1ccc([C@H]2CO2)cc1Cl ZINC000071518588 167301928 /nfs/dbraw/zinc/30/19/28/167301928.db2.gz WPMWYUZCBZVDPE-LLVKDONJSA-N 0 0 212.676 3.199 10 0 BGAERN COc1ccccc1-c1cc(C)cc(N)c1 ZINC000071518805 175309140 /nfs/dbraw/zinc/30/91/40/175309140.db2.gz KBQJTGJYZOCBSI-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN COc1cccc(-c2cc(C)cc(N)c2)c1 ZINC000071518806 175233442 /nfs/dbraw/zinc/23/34/42/175233442.db2.gz FFCLQWHXICGNCH-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN COc1ccc(-c2cc(C)cc(N)c2)cc1 ZINC000071518807 175030719 /nfs/dbraw/zinc/03/07/19/175030719.db2.gz ZKJOUKIGYFHMAF-UHFFFAOYSA-N 0 0 213.280 3.253 10 0 BGAERN Clc1nnc(-c2ccccc2Cl)o1 ZINC000071519199 180604401 /nfs/dbraw/zinc/60/44/01/180604401.db2.gz FCJIRYKBZDGPRG-UHFFFAOYSA-N 0 0 215.039 3.043 10 0 BGAERN Clc1nnc(-c2cccc(Cl)c2)o1 ZINC000071519200 388096990 /nfs/dbraw/zinc/09/69/90/388096990.db2.gz BFDRAHDIVIPLPF-UHFFFAOYSA-N 0 0 215.039 3.043 10 0 BGAERN Cc1cc(C)c([C@H](N)C(F)(F)F)cc1C ZINC000071519991 177875663 /nfs/dbraw/zinc/87/56/63/177875663.db2.gz RSGAVJHVHSDGFA-JTQLQIEISA-N 0 0 217.234 3.174 10 0 BGAERN CCCOc1ccc(C(=O)C2CCC2)cc1 ZINC000071520612 169317185 /nfs/dbraw/zinc/31/71/85/169317185.db2.gz AJEUOWOOYRVMTQ-UHFFFAOYSA-N 0 0 218.296 3.458 10 0 BGAERN CCCOc1ccc(C(=O)C2(C)CC2)cc1 ZINC000071520613 169317224 /nfs/dbraw/zinc/31/72/24/169317224.db2.gz POGSNRDMFJKYNB-UHFFFAOYSA-N 0 0 218.296 3.458 10 0 BGAERN CC(C)(C)Oc1ccc(C(=O)C2CC2)cc1 ZINC000071520616 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187442269 /nfs/dbraw/zinc/44/22/69/187442269.db2.gz FMIBYQNCVDKOTE-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1ncc(-c2ccco2)s1 ZINC000072191693 191004424 /nfs/dbraw/zinc/00/44/24/191004424.db2.gz HNUBSYWRWDJVER-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Brc1nc(-c2ccoc2)cs1 ZINC000072191699 191004664 /nfs/dbraw/zinc/00/46/64/191004664.db2.gz VRUXWBDYPGALQV-UHFFFAOYSA-N 0 0 230.086 3.166 10 0 BGAERN Nc1cc(-c2ccccc2C(F)(F)F)ccn1 ZINC000072191778 191004179 /nfs/dbraw/zinc/00/41/79/191004179.db2.gz FOSFMXKFGYKPBG-UHFFFAOYSA-N 0 0 238.212 3.350 10 0 BGAERN Cc1cc(F)ccc1-c1nccc(Cl)n1 ZINC000072191786 178080833 /nfs/dbraw/zinc/08/08/33/178080833.db2.gz ORVXQCLSTPAOPH-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN Brc1cnc(C2CCCCC2)nc1 ZINC000072191815 166105053 /nfs/dbraw/zinc/10/50/53/166105053.db2.gz WSXUSXAJONAYNC-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN Brc1sccc1C1CC1 ZINC000072191876 166108933 /nfs/dbraw/zinc/10/89/33/166108933.db2.gz ONHUMGJETQAFFX-UHFFFAOYSA-N 0 0 203.104 3.388 10 0 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CC(C)Cc1ccc(Br)nc1 ZINC000072193038 188306922 /nfs/dbraw/zinc/30/69/22/188306922.db2.gz BKTWPYSXVLGNIB-UHFFFAOYSA-N 0 0 214.106 3.043 10 0 BGAERN Brc1cc([C@@H]2CCOC2)cs1 ZINC000072193059 166095866 /nfs/dbraw/zinc/09/58/66/166095866.db2.gz IBXHNGYCLYWYNZ-ZCFIWIBFSA-N 0 0 233.130 3.015 10 0 BGAERN Brc1cc([C@H]2CCOC2)cs1 ZINC000072193060 166095799 /nfs/dbraw/zinc/09/57/99/166095799.db2.gz IBXHNGYCLYWYNZ-LURJTMIESA-N 0 0 233.130 3.015 10 0 BGAERN Brc1cc(C2CCOCC2)cs1 ZINC000072193061 166096305 /nfs/dbraw/zinc/09/63/05/166096305.db2.gz IJFRWTFGQVYGSF-UHFFFAOYSA-N 0 0 247.157 3.405 10 0 BGAERN Brc1cc([C@@H]2CCCOC2)cs1 ZINC000072193062 166096732 /nfs/dbraw/zinc/09/67/32/166096732.db2.gz AHWLMOGYZUNZGR-SSDOTTSWSA-N 0 0 247.157 3.405 10 0 BGAERN Brc1cc([C@H]2CCCOC2)cs1 ZINC000072193063 166096450 /nfs/dbraw/zinc/09/64/50/166096450.db2.gz AHWLMOGYZUNZGR-ZETCQYMHSA-N 0 0 247.157 3.405 10 0 BGAERN Nc1nc(Cl)cc(-c2cccc(Cl)c2)n1 ZINC000072193112 181782844 /nfs/dbraw/zinc/78/28/44/181782844.db2.gz VBMKREKHQNCWDE-UHFFFAOYSA-N 0 0 240.093 3.033 10 0 BGAERN Brc1ccc([C@@H]2CCCOC2)cc1 ZINC000072193153 166100002 /nfs/dbraw/zinc/10/00/02/166100002.db2.gz CLGJFBOLOIPHIJ-SNVBAGLBSA-N 0 0 241.128 3.343 10 0 BGAERN Brc1ccc([C@H]2CCCOC2)cc1 ZINC000072193154 166099945 /nfs/dbraw/zinc/09/99/45/166099945.db2.gz CLGJFBOLOIPHIJ-JTQLQIEISA-N 0 0 241.128 3.343 10 0 BGAERN Brc1cccc(C2CCOCC2)c1 ZINC000072193171 166101726 /nfs/dbraw/zinc/10/17/26/166101726.db2.gz IPBWKEYGWQHXEC-UHFFFAOYSA-N 0 0 241.128 3.343 10 0 BGAERN Brc1cccc([C@@H]2CCCOC2)c1 ZINC000072193174 166101047 /nfs/dbraw/zinc/10/10/47/166101047.db2.gz MSBRJBBFRPFUAY-SNVBAGLBSA-N 0 0 241.128 3.343 10 0 BGAERN Brc1cccc([C@H]2CCCOC2)c1 ZINC000072193175 166101887 /nfs/dbraw/zinc/10/18/87/166101887.db2.gz MSBRJBBFRPFUAY-JTQLQIEISA-N 0 0 241.128 3.343 10 0 BGAERN Brc1ccccc1C1CCOCC1 ZINC000072193191 166102905 /nfs/dbraw/zinc/10/29/05/166102905.db2.gz XIQFXLSIFRXOJF-UHFFFAOYSA-N 0 0 241.128 3.343 10 0 BGAERN Brc1ccccc1[C@@H]1CCCOC1 ZINC000072193194 166103435 /nfs/dbraw/zinc/10/34/35/166103435.db2.gz WBSJONKZMCIKBD-SECBINFHSA-N 0 0 241.128 3.343 10 0 BGAERN Brc1ccccc1[C@H]1CCCOC1 ZINC000072193195 166103377 /nfs/dbraw/zinc/10/33/77/166103377.db2.gz WBSJONKZMCIKBD-VIFPVBQESA-N 0 0 241.128 3.343 10 0 BGAERN Clc1cc(C2CCC2)nc(Cl)n1 ZINC000072193228 384812896 /nfs/dbraw/zinc/81/28/96/384812896.db2.gz VIXWYMSCZIUVGC-UHFFFAOYSA-N 0 0 203.072 3.051 10 0 BGAERN Clc1cc(C2CCCC2)nc(Cl)n1 ZINC000072193229 384809853 /nfs/dbraw/zinc/80/98/53/384809853.db2.gz ZJTLCMKRMBTATE-UHFFFAOYSA-N 0 0 217.099 3.441 10 0 BGAERN Clc1cc(Cl)nc(C2CCC2)n1 ZINC000072193251 385049967 /nfs/dbraw/zinc/04/99/67/385049967.db2.gz FEPXBNBIBVQUQC-UHFFFAOYSA-N 0 0 203.072 3.051 10 0 BGAERN Brc1cc([C@@H]2CCCS2)ccn1 ZINC000072193287 166096180 /nfs/dbraw/zinc/09/61/80/166096180.db2.gz VUSIXMPJUMAEKK-QMMMGPOBSA-N 0 0 244.157 3.412 10 0 BGAERN Brc1cc([C@H]2CCCS2)ccn1 ZINC000072193288 166096389 /nfs/dbraw/zinc/09/63/89/166096389.db2.gz VUSIXMPJUMAEKK-MRVPVSSYSA-N 0 0 244.157 3.412 10 0 BGAERN Brc1cc([C@@H]2CCSC2)ccn1 ZINC000072193293 166096238 /nfs/dbraw/zinc/09/62/38/166096238.db2.gz NSCYVQAMXMJXBT-MRVPVSSYSA-N 0 0 244.157 3.065 10 0 BGAERN Brc1cc([C@H]2CCSC2)ccn1 ZINC000072193294 166096208 /nfs/dbraw/zinc/09/62/08/166096208.db2.gz NSCYVQAMXMJXBT-QMMMGPOBSA-N 0 0 244.157 3.065 10 0 BGAERN Fc1cc(Br)ccc1C1CC1 ZINC000072193333 187442478 /nfs/dbraw/zinc/44/24/78/187442478.db2.gz IKTQKNPPVYOBEE-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN COc1cc(Br)ccc1C1CC1 ZINC000072193336 191004633 /nfs/dbraw/zinc/00/46/33/191004633.db2.gz IZWVXGIIZQDRBT-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN Fc1cc(C2CC2)ccc1Br ZINC000072193340 385974033 /nfs/dbraw/zinc/97/40/33/385974033.db2.gz IWBIPARCILVLTA-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN COc1cc(C2CC2)ccc1Br ZINC000072193344 174976019 /nfs/dbraw/zinc/97/60/19/174976019.db2.gz BKHSINCNNLGUMK-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN Fc1ccc(Br)cc1C1CC1 ZINC000072193348 537903924 /nfs/dbraw/zinc/90/39/24/537903924.db2.gz SZZVAZYULNQBMJ-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN COc1ccc(Br)cc1C1CC1 ZINC000072193352 175051484 /nfs/dbraw/zinc/05/14/84/175051484.db2.gz FAQWTHNLZLHNBM-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN COc1cc(Br)cc(C2CC2)c1 ZINC000072193360 187276611 /nfs/dbraw/zinc/27/66/11/187276611.db2.gz LIMAXWKMVKWPBK-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN Fc1ccc(C2CC2)cc1Br ZINC000072193363 537903804 /nfs/dbraw/zinc/90/38/04/537903804.db2.gz POXKPISEORGJLY-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN Fc1ccc(Br)c(C2CC2)c1 ZINC000072193368 537902874 /nfs/dbraw/zinc/90/28/74/537902874.db2.gz HSIWFKZCNJFPJB-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN COc1ccc(Br)c(C2CC2)c1 ZINC000072193372 537902530 /nfs/dbraw/zinc/90/25/30/537902530.db2.gz OVTJDEKARZNWEC-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN Fc1ccc(C2CC2)c(Br)c1 ZINC000072193375 537939197 /nfs/dbraw/zinc/93/91/97/537939197.db2.gz QPLHBELYGUNHNU-UHFFFAOYSA-N 0 0 215.065 3.466 10 0 BGAERN COc1ccc(C2CC2)c(Br)c1 ZINC000072193379 175085136 /nfs/dbraw/zinc/08/51/36/175085136.db2.gz RBKZCEKCSPUSMY-UHFFFAOYSA-N 0 0 227.101 3.335 10 0 BGAERN CCc1cnc(Br)cc1Cl ZINC000072193445 188307023 /nfs/dbraw/zinc/30/70/23/188307023.db2.gz FMCLSVTXBRAKCN-UHFFFAOYSA-N 0 0 220.497 3.060 10 0 BGAERN CCCc1cnc(Br)cc1Cl ZINC000072193446 384811776 /nfs/dbraw/zinc/81/17/76/384811776.db2.gz SURJRMIRPXEKFM-UHFFFAOYSA-N 0 0 234.524 3.450 10 0 BGAERN Clc1cc(Br)ncc1C1CC1 ZINC000072193447 180574646 /nfs/dbraw/zinc/57/46/46/180574646.db2.gz RVNZMNAVTHMIDK-UHFFFAOYSA-N 0 0 232.508 3.375 10 0 BGAERN CCc1cc(Cl)c(Br)cn1 ZINC000072193449 384197831 /nfs/dbraw/zinc/19/78/31/384197831.db2.gz GXIGZJYVEZATEJ-UHFFFAOYSA-N 0 0 220.497 3.060 10 0 BGAERN CCCc1cc(Cl)c(Br)cn1 ZINC000072193450 384811756 /nfs/dbraw/zinc/81/17/56/384811756.db2.gz QAYGQPRRTUSQDR-UHFFFAOYSA-N 0 0 234.524 3.450 10 0 BGAERN Clc1cc(C2CC2)ncc1Br ZINC000072193452 386831725 /nfs/dbraw/zinc/83/17/25/386831725.db2.gz FTSKSBZMEQOSFJ-UHFFFAOYSA-N 0 0 232.508 3.375 10 0 BGAERN Brc1cncc(C2CCC2)c1 ZINC000072193474 166105028 /nfs/dbraw/zinc/10/50/28/166105028.db2.gz NKTPOCFTCCSRML-UHFFFAOYSA-N 0 0 212.090 3.112 10 0 BGAERN Brc1cn(C2CCCCC2)cn1 ZINC000072193487 166104298 /nfs/dbraw/zinc/10/42/98/166104298.db2.gz JTHAXXMZLSRFFU-UHFFFAOYSA-N 0 0 229.121 3.151 10 0 BGAERN Cc1ccccc1-c1nc(Cl)nc(Cl)n1 ZINC000072193573 179238195 /nfs/dbraw/zinc/23/81/95/179238195.db2.gz ZBIFMRZXKSVLSL-UHFFFAOYSA-N 0 0 240.093 3.154 10 0 BGAERN CC(C)Nc1nc2ccccc2nc1Cl ZINC000072194606 167149039 /nfs/dbraw/zinc/14/90/39/167149039.db2.gz UHAKDFQVRHZRRT-UHFFFAOYSA-N 0 0 221.691 3.104 10 0 BGAERN Cc1cc([C@@H](N)C(F)(F)F)cc(C)c1F ZINC000072194858 178236404 /nfs/dbraw/zinc/23/64/04/178236404.db2.gz IFTQHGBNWXUYBG-SECBINFHSA-N 0 0 221.197 3.005 10 0 BGAERN Cc1cc([C@H](N)C(F)(F)F)cc(C)c1F ZINC000072194859 178261562 /nfs/dbraw/zinc/26/15/62/178261562.db2.gz IFTQHGBNWXUYBG-VIFPVBQESA-N 0 0 221.197 3.005 10 0 BGAERN Cc1ccc([C@@H](N)C(F)(F)F)cc1Cl ZINC000072194912 178857185 /nfs/dbraw/zinc/85/71/85/178857185.db2.gz HXJKOFXBVJMAFG-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cc([C@H](N)C(F)(F)F)ccc1Cl ZINC000072194913 178260890 /nfs/dbraw/zinc/26/08/90/178260890.db2.gz KYUYUWMJUPLGNK-QMMMGPOBSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cc([C@@H](N)C(F)(F)F)ccc1Cl ZINC000072194914 178236353 /nfs/dbraw/zinc/23/63/53/178236353.db2.gz KYUYUWMJUPLGNK-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cccc(Cl)c1[C@H](N)C(F)(F)F ZINC000072194915 179109708 /nfs/dbraw/zinc/10/97/08/179109708.db2.gz LGUMJHSVLVFBRU-QMMMGPOBSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cccc(Cl)c1[C@@H](N)C(F)(F)F ZINC000072194916 179109972 /nfs/dbraw/zinc/10/99/72/179109972.db2.gz LGUMJHSVLVFBRU-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cc(Cl)ccc1[C@H](N)C(F)(F)F ZINC000072194917 178070058 /nfs/dbraw/zinc/07/00/58/178070058.db2.gz MQYIIPRFEWCFHP-QMMMGPOBSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cc(Cl)ccc1[C@@H](N)C(F)(F)F ZINC000072194918 178070229 /nfs/dbraw/zinc/07/02/29/178070229.db2.gz MQYIIPRFEWCFHP-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cccc([C@@H](N)C(F)(F)F)c1Cl ZINC000072194923 179185459 /nfs/dbraw/zinc/18/54/59/179185459.db2.gz FUFIXPWGBRCSAB-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1cccc([C@H](N)C(F)(F)F)c1Cl ZINC000072194924 179200218 /nfs/dbraw/zinc/20/02/18/179200218.db2.gz FUFIXPWGBRCSAB-QMMMGPOBSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1ccc(Cl)c([C@@H](N)C(F)(F)F)c1 ZINC000072194927 178659911 /nfs/dbraw/zinc/65/99/11/178659911.db2.gz NNPVYGZGUIWKEP-MRVPVSSYSA-N 0 0 223.625 3.211 10 0 BGAERN Cc1ccc(Cl)c([C@H](N)C(F)(F)F)c1 ZINC000072194928 384811187 /nfs/dbraw/zinc/81/11/87/384811187.db2.gz NNPVYGZGUIWKEP-QMMMGPOBSA-N 0 0 223.625 3.211 10 0 BGAERN N[C@H](c1ccccc1C(F)F)C(F)(F)F ZINC000072194949 181633786 /nfs/dbraw/zinc/63/37/86/181633786.db2.gz XTIWVKJLJIGMST-SSDOTTSWSA-N 0 0 225.160 3.186 10 0 BGAERN N[C@H](c1ccc(C(F)F)cc1)C(F)(F)F ZINC000072194950 181629949 /nfs/dbraw/zinc/62/99/49/181629949.db2.gz SQGPHFWUMVZZER-SSDOTTSWSA-N 0 0 225.160 3.186 10 0 BGAERN N[C@@H](c1ccc(C(F)F)cc1)C(F)(F)F ZINC000072194951 181561218 /nfs/dbraw/zinc/56/12/18/181561218.db2.gz SQGPHFWUMVZZER-ZETCQYMHSA-N 0 0 225.160 3.186 10 0 BGAERN N[C@@H](c1ccc2ccccc2c1)C(F)(F)F ZINC000072194955 384809692 /nfs/dbraw/zinc/80/96/92/384809692.db2.gz OWHGHTQGZFFGAL-NSHDSACASA-N 0 0 225.213 3.402 10 0 BGAERN N[C@H](c1ccc2ccccc2c1)C(F)(F)F ZINC000072194956 384811764 /nfs/dbraw/zinc/81/17/64/384811764.db2.gz OWHGHTQGZFFGAL-LLVKDONJSA-N 0 0 225.213 3.402 10 0 BGAERN N[C@H](c1cccc(Cl)c1F)C(F)(F)F ZINC000072195003 181632670 /nfs/dbraw/zinc/63/26/70/181632670.db2.gz FZLMOZGFLLCWDK-SSDOTTSWSA-N 0 0 227.588 3.041 10 0 BGAERN N[C@@H](c1cccc(Cl)c1F)C(F)(F)F ZINC000072195004 181564588 /nfs/dbraw/zinc/56/45/88/181564588.db2.gz FZLMOZGFLLCWDK-ZETCQYMHSA-N 0 0 227.588 3.041 10 0 BGAERN Cc1cc([C@H](N)C(F)(F)F)c(C)c(C)c1C ZINC000072195026 178261259 /nfs/dbraw/zinc/26/12/59/178261259.db2.gz WFFVMPBITUOCHF-NSHDSACASA-N 0 0 231.261 3.482 10 0 BGAERN Cc1cc([C@@H](N)C(F)(F)F)c(C)c(C)c1C ZINC000072195027 178235497 /nfs/dbraw/zinc/23/54/97/178235497.db2.gz WFFVMPBITUOCHF-LLVKDONJSA-N 0 0 231.261 3.482 10 0 BGAERN CCCOc1ccccc1[C@@H](N)C(F)(F)F ZINC000072195074 169327282 /nfs/dbraw/zinc/32/72/82/169327282.db2.gz IBNVPTSZDMMYBG-SNVBAGLBSA-N 0 0 233.233 3.038 10 0 BGAERN CCCOc1ccccc1[C@H](N)C(F)(F)F ZINC000072195075 169328168 /nfs/dbraw/zinc/32/81/68/169328168.db2.gz IBNVPTSZDMMYBG-JTQLQIEISA-N 0 0 233.233 3.038 10 0 BGAERN CC(C)Oc1ccccc1[C@H](N)C(F)(F)F ZINC000072195076 187442827 /nfs/dbraw/zinc/44/28/27/187442827.db2.gz CNANRYPPENHBQT-JTQLQIEISA-N 0 0 233.233 3.036 10 0 BGAERN Cc1cc(-c2ccc(Cl)cn2)nnc1Cl ZINC000072204286 177684553 /nfs/dbraw/zinc/68/45/53/177684553.db2.gz SQAHCVULQKDBIF-UHFFFAOYSA-N 0 0 240.093 3.154 10 0 BGAERN COc1nc2ccc(Br)cc2s1 ZINC000072204503 343976777 /nfs/dbraw/zinc/97/67/77/343976777.db2.gz NWJQRJRIBQOMCI-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN CC(C)c1nnc(Cl)c2ccccc21 ZINC000072204542 343071520 /nfs/dbraw/zinc/07/15/20/343071520.db2.gz BPUJDZFCAPBPOT-UHFFFAOYSA-N 0 0 206.676 3.407 10 0 BGAERN CCc1cc(F)cc(Br)c1 ZINC000072204552 343976410 /nfs/dbraw/zinc/97/64/10/343976410.db2.gz MIFQNCPQWVKIOJ-UHFFFAOYSA-N 0 0 203.054 3.151 10 0 BGAERN Nc1ccc(-c2cc(Br)ccn2)cc1 ZINC000072204594 384819127 /nfs/dbraw/zinc/81/91/27/384819127.db2.gz BTXHXCPHUNBOEG-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN Nc1cccc(-c2cc(Br)ccn2)c1 ZINC000072204595 384818330 /nfs/dbraw/zinc/81/83/30/384818330.db2.gz XXTSYFVFWXPBOM-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN Brc1nccc(C2CCCCC2)n1 ZINC000072204607 188306708 /nfs/dbraw/zinc/30/67/08/188306708.db2.gz CDXPINIDQLZXRU-UHFFFAOYSA-N 0 0 241.132 3.287 10 0 BGAERN Cc1ccc(-c2ccnc(Br)n2)cc1 ZINC000072204608 178327763 /nfs/dbraw/zinc/32/77/63/178327763.db2.gz NPXAUUBIIGHPGL-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Cc1cccc(-c2ccnc(Br)n2)c1 ZINC000072204609 178994482 /nfs/dbraw/zinc/99/44/82/178994482.db2.gz KEVHXJKFHJYIHW-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN Cc1ccccc1-c1ccnc(Br)n1 ZINC000072204610 179236929 /nfs/dbraw/zinc/23/69/29/179236929.db2.gz KHUQCRPDVJRCPC-UHFFFAOYSA-N 0 0 249.111 3.215 10 0 BGAERN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1 ZINC000072206390 521575568 /nfs/dbraw/zinc/57/55/68/521575568.db2.gz MGGNERVVERANLS-UHFFFAOYSA-N 0 0 249.697 3.373 10 0 BGAERN CCOC(=O)c1cnc2c(C)ccc(C)c2c1 ZINC000072206392 521574626 /nfs/dbraw/zinc/57/46/26/521574626.db2.gz SNPXMJMMCIZHBH-UHFFFAOYSA-N 0 0 229.279 3.028 10 0 BGAERN CCOc1cc(C=O)ccc1OCC(C)(C)C ZINC000072226340 520691713 /nfs/dbraw/zinc/69/17/13/520691713.db2.gz ZMKCNDKMQAKGDJ-UHFFFAOYSA-N 0 0 236.311 3.323 10 0 BGAERN CC(C)(C)COc1ccc2ncc(N)cc2c1 ZINC000072226634 518670899 /nfs/dbraw/zinc/67/08/99/518670899.db2.gz CKNWHGQHKZPWDL-UHFFFAOYSA-N 0 0 230.311 3.242 10 0 BGAERN O=C1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000072232834 384201815 /nfs/dbraw/zinc/20/18/15/384201815.db2.gz HPWSYVDXXWRSJM-UHFFFAOYSA-N 0 0 214.186 3.152 10 0 BGAERN COc1cc2c(cc1Cl)C(=O)[C@H](CCF)C2 ZINC000072233034 175021330 /nfs/dbraw/zinc/02/13/30/175021330.db2.gz 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CCOc1ccc2[nH]ccc(=S)c2c1 ZINC000072237253 170567340 /nfs/dbraw/zinc/56/73/40/170567340.db2.gz MHOAOWUXTSVWED-UHFFFAOYSA-N 0 0 205.282 3.296 10 0 BGAERN Nc1ccnc2cc(C(F)(F)F)c(Cl)cc12 ZINC000072237272 384842662 /nfs/dbraw/zinc/84/26/62/384842662.db2.gz ZYMYFBUCOWGJJJ-UHFFFAOYSA-N 0 0 246.619 3.489 10 0 BGAERN O=c1cc[nH]c2cc(C(F)(F)F)c(Cl)cc12 ZINC000072237301 398113926 /nfs/dbraw/zinc/11/39/26/398113926.db2.gz JZVNUKNHDLKYRN-UHFFFAOYSA-N 0 0 247.603 3.200 10 0 BGAERN Cc1oc(=O)cc2c3ccccc3sc21 ZINC000072240678 643588507 /nfs/dbraw/zinc/58/85/07/643588507.db2.gz ZCSGNTOMLKJTBG-UHFFFAOYSA-N 0 0 216.261 3.316 10 0 BGAERN CCCCO[C@@H](C)OCC(F)(F)C(F)F ZINC000072265712 168911112 /nfs/dbraw/zinc/91/11/12/168911112.db2.gz UFSXRGGZOLVUPF-SSDOTTSWSA-N 0 0 232.217 3.066 10 0 BGAERN CCCCO[C@H](C)OCC(F)(F)C(F)F ZINC000072265713 343977804 /nfs/dbraw/zinc/97/78/04/343977804.db2.gz UFSXRGGZOLVUPF-ZETCQYMHSA-N 0 0 232.217 3.066 10 0 BGAERN FC(F)(F)C(F)(F)COc1ccccc1 ZINC000072265777 180877582 /nfs/dbraw/zinc/87/75/82/180877582.db2.gz WXFZJDYBIAYRAQ-UHFFFAOYSA-N 0 0 226.144 3.263 10 0 BGAERN Cc1ccc2[nH]c(C(F)(F)C(F)F)nc2c1 ZINC000072265834 384203350 /nfs/dbraw/zinc/20/33/50/384203350.db2.gz OKLUCYPTQRSTNB-UHFFFAOYSA-N 0 0 232.180 3.228 10 0 BGAERN Cc1ccc2[nH]c(CCC(F)(F)F)nc2c1 ZINC000072265836 384204167 /nfs/dbraw/zinc/20/41/67/384204167.db2.gz PIKSPELCLNHEPQ-UHFFFAOYSA-N 0 0 228.217 3.366 10 0 BGAERN Cc1ccc2[nH]c(C(F)(F)Cl)nc2c1 ZINC000072265852 384203901 /nfs/dbraw/zinc/20/39/01/384203901.db2.gz KFNRSASBDKGYEA-UHFFFAOYSA-N 0 0 216.618 3.159 10 0 BGAERN Oc1ccc(NCC(F)(F)C(F)(F)F)cc1 ZINC000072265905 183275220 /nfs/dbraw/zinc/27/52/20/183275220.db2.gz MEVDMZJBALQXOH-UHFFFAOYSA-N 0 0 241.159 3.002 10 0 BGAERN Clc1cnc(Cl)c(-c2ccccc2)n1 ZINC000072266096 384204671 /nfs/dbraw/zinc/20/46/71/384204671.db2.gz UVHFTHLANSFULO-UHFFFAOYSA-N 0 0 225.078 3.450 10 0 BGAERN CC(=O)NC(C)(C)Cc1ccc2ccccc2c1 ZINC000072267199 187961548 /nfs/dbraw/zinc/96/15/48/187961548.db2.gz 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ZINC000072417161 384136583 /nfs/dbraw/zinc/13/65/83/384136583.db2.gz NAOQAMISRFJABI-UHFFFAOYSA-N 0 0 239.322 3.489 10 0 BGAERN c1nc(NC2CCCCC2)nc2c1CCCCC2 ZINC000072417162 384136042 /nfs/dbraw/zinc/13/60/42/384136042.db2.gz LXUQLALMOGLUME-UHFFFAOYSA-N 0 0 245.370 3.490 10 0 BGAERN CCNc1ccc(OCC)cc1C(=O)SC ZINC000072417473 170174374 /nfs/dbraw/zinc/17/43/74/170174374.db2.gz AQJHLKSVZXVPRK-UHFFFAOYSA-N 0 0 239.340 3.020 10 0 BGAERN CCNc1ccc(Cl)cc1C(=O)SC ZINC000072417475 170174425 /nfs/dbraw/zinc/17/44/25/170174425.db2.gz OHYIKPRWABFFQE-UHFFFAOYSA-N 0 0 229.732 3.275 10 0 BGAERN CCNc1c(C)cc(C)cc1C(=O)SC ZINC000072417477 170170408 /nfs/dbraw/zinc/17/04/08/170170408.db2.gz CBFPDSRDGRRNGI-UHFFFAOYSA-N 0 0 223.341 3.238 10 0 BGAERN O=C1CCCc2ssc(=S)c21 ZINC000072417572 343958386 /nfs/dbraw/zinc/95/83/86/343958386.db2.gz RMZPPXJTQAQGKX-UHFFFAOYSA-N 0 0 202.325 3.058 10 0 BGAERN c1cc(-c2ccnc(N3CCCCC3)n2)cs1 ZINC000072443347 132397556 /nfs/dbraw/zinc/39/75/56/132397556.db2.gz DGXRQUOKKUCDPI-UHFFFAOYSA-N 0 0 245.351 3.195 10 0 BGAERN Clc1ccccc1-c1ccnc2ccnn21 ZINC000072451556 180594325 /nfs/dbraw/zinc/59/43/25/180594325.db2.gz SBVBHHHQMACJOT-UHFFFAOYSA-N 0 0 229.670 3.050 10 0 BGAERN c1nn2c(ncc3c2CCCC3)c1-c1ccccc1 ZINC000072451573 183382053 /nfs/dbraw/zinc/38/20/53/183382053.db2.gz UUOYXIMERGPZFG-UHFFFAOYSA-N 0 0 249.317 3.275 10 0 BGAERN Cc1cc2nccc(-c3ccccc3Cl)n2n1 ZINC000072451592 178304217 /nfs/dbraw/zinc/30/42/17/178304217.db2.gz MTNZVYQMOYSESU-UHFFFAOYSA-N 0 0 243.697 3.358 10 0 BGAERN Cn1ccc2c1nccc2-c1ccc2[nH]cnc2c1 ZINC000072476038 643254820 /nfs/dbraw/zinc/25/48/20/643254820.db2.gz HKRGUWHCECCRST-UHFFFAOYSA-N 0 0 248.289 3.117 10 0 BGAERN CCCCC[C@@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481893 168740263 /nfs/dbraw/zinc/74/02/63/168740263.db2.gz RCZNHLMBDQOJRG-SNVBAGLBSA-N 0 0 241.331 3.103 10 0 BGAERN CCCCC[C@H]1CC(=O)N1C(=O)OC(C)(C)C ZINC000072481894 168746130 /nfs/dbraw/zinc/74/61/30/168746130.db2.gz RCZNHLMBDQOJRG-JTQLQIEISA-N 0 0 241.331 3.103 10 0 BGAERN FC(F)(F)Oc1ccc2occc2c1 ZINC000072482049 384222551 /nfs/dbraw/zinc/22/25/51/384222551.db2.gz DYWSGIXQIMAREU-UHFFFAOYSA-N 0 0 202.131 3.331 10 0 BGAERN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1C[C@@H]1C ZINC000072575084 325156601 /nfs/dbraw/zinc/15/66/01/325156601.db2.gz OIWIFCVOOFNJHQ-CYZMBNFOSA-N 0 0 223.360 3.118 10 0 BGAERN CC[C@H](CC1CCCC1)C(=O)N[C@H]1C[C@@H]1C ZINC000072575090 325156441 /nfs/dbraw/zinc/15/64/41/325156441.db2.gz OIWIFCVOOFNJHQ-UHTWSYAYSA-N 0 0 223.360 3.118 10 0 BGAERN Cc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1Cl ZINC000072579593 179136627 /nfs/dbraw/zinc/13/66/27/179136627.db2.gz HSCNVEJXMYEZRO-WCBMZHEXSA-N 0 0 238.718 3.178 10 0 BGAERN Cc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1Cl ZINC000072579594 179137270 /nfs/dbraw/zinc/13/72/70/179137270.db2.gz HSCNVEJXMYEZRO-WPRPVWTQSA-N 0 0 238.718 3.178 10 0 BGAERN Cc1cccc(NC(=O)N[C@H]2C[C@H]2C)c1Cl ZINC000072579597 179137242 /nfs/dbraw/zinc/13/72/42/179137242.db2.gz HSCNVEJXMYEZRO-SCZZXKLOSA-N 0 0 238.718 3.178 10 0 BGAERN 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/nfs/dbraw/zinc/86/67/46/171866746.db2.gz VCFZFBNRRCMLAL-UHFFFAOYSA-N 0 0 228.295 3.327 10 0 BGAERN CC(=O)CCC(=O)c1cc(Cl)ccc1F ZINC000077342833 188291076 /nfs/dbraw/zinc/29/10/76/188291076.db2.gz RPHLUJZECNZFRA-UHFFFAOYSA-N 0 0 228.650 3.031 10 0 BGAERN Cc1cc(Oc2cccc(Cl)c2)ncc1N ZINC000077370072 178214497 /nfs/dbraw/zinc/21/44/97/178214497.db2.gz ZEJMDEVDBWPVMK-UHFFFAOYSA-N 0 0 234.686 3.418 10 0 BGAERN CCCNc1nc(C)c(Br)s1 ZINC000077370092 169295711 /nfs/dbraw/zinc/29/57/11/169295711.db2.gz SXQCCGMWCJVDJY-UHFFFAOYSA-N 0 0 235.150 3.036 10 0 BGAERN Cc1nc(NC(C)C)sc1Br ZINC000077370096 180015793 /nfs/dbraw/zinc/01/57/93/180015793.db2.gz XGHGINJKGPHATF-UHFFFAOYSA-N 0 0 235.150 3.034 10 0 BGAERN CC[C@H](C)Nc1ncc(Br)s1 ZINC000077370108 171350212 /nfs/dbraw/zinc/35/02/12/171350212.db2.gz MKVFOZPMWVFSOG-YFKPBYRVSA-N 0 0 235.150 3.116 10 0 BGAERN Cc1cc(Oc2ccc(F)cc2F)ncc1N ZINC000077371811 178214840 /nfs/dbraw/zinc/21/48/40/178214840.db2.gz RETPAFYBNXKVTE-UHFFFAOYSA-N 0 0 236.221 3.043 10 0 BGAERN Cc1cc(Oc2ccc(F)c(F)c2)ncc1N ZINC000077371813 178214865 /nfs/dbraw/zinc/21/48/65/178214865.db2.gz XRBHIEGMJYIMME-UHFFFAOYSA-N 0 0 236.221 3.043 10 0 BGAERN O=Cc1nc2ccccc2nc1-c1cccs1 ZINC000077385993 388582611 /nfs/dbraw/zinc/58/26/11/388582611.db2.gz SHBKVBWSUHWHJB-UHFFFAOYSA-N 0 0 240.287 3.171 10 0 BGAERN Cc1cc(Oc2ccc3c(c2)CCC3)ncc1N ZINC000077386195 178214205 /nfs/dbraw/zinc/21/42/05/178214205.db2.gz TVEIFRGVVODBCA-UHFFFAOYSA-N 0 0 240.306 3.253 10 0 BGAERN CCc1ccc(N(C)c2cc(C)c(N)cn2)cc1 ZINC000077388550 171816109 /nfs/dbraw/zinc/81/61/09/171816109.db2.gz IMWJEYAJAKOFRH-UHFFFAOYSA-N 0 0 241.338 3.303 10 0 BGAERN CCN(c1ccccc1)c1ccc(N)c(OC)c1 ZINC000077390719 169943543 /nfs/dbraw/zinc/94/35/43/169943543.db2.gz XTVZGOOQTGMTNH-UHFFFAOYSA-N 0 0 242.322 3.435 10 0 BGAERN Nc1onc(-c2cccs2)c1-c1ccccn1 ZINC000077392689 181819759 /nfs/dbraw/zinc/81/97/59/181819759.db2.gz ILZCNDYCRXGRJX-UHFFFAOYSA-N 0 0 243.291 3.047 10 0 BGAERN Nc1onc(C2CCCCC2)c1-c1ccccn1 ZINC000077393242 181819165 /nfs/dbraw/zinc/81/91/65/181819165.db2.gz HQXHXHMAJDYAPO-UHFFFAOYSA-N 0 0 243.310 3.367 10 0 BGAERN O=C1CC[C@H](c2cc(Br)cs2)C1 ZINC000077397908 182754015 /nfs/dbraw/zinc/75/40/15/182754015.db2.gz GAUSRPNETLJULD-LURJTMIESA-N 0 0 245.141 3.347 10 0 BGAERN Nc1cc(Cl)cnc1N1CCc2ccccc21 ZINC000077400486 181684897 /nfs/dbraw/zinc/68/48/97/181684897.db2.gz PHXPPNWVWVIPAR-UHFFFAOYSA-N 0 0 245.713 3.011 10 0 BGAERN CC(C)[C@H]([NH3+])C(=O)c1ccc(Cl)c(Cl)c1 ZINC000077400640 188222250 /nfs/dbraw/zinc/22/22/50/188222250.db2.gz ASTMVYAXVWLRNT-JTQLQIEISA-N 0 0 246.137 3.159 10 0 BGAERN CC(C)[C@H]([NH3+])C(=O)c1ccc(Cl)cc1Cl ZINC000077400647 188048990 /nfs/dbraw/zinc/04/89/90/188048990.db2.gz PRRCYGRROHGAGO-JTQLQIEISA-N 0 0 246.137 3.159 10 0 BGAERN Brc1cnc(NC2CCCC2)s1 ZINC000077404496 166104711 /nfs/dbraw/zinc/10/47/11/166104711.db2.gz AQVHGZQXCQXIDH-UHFFFAOYSA-N 0 0 247.161 3.260 10 0 BGAERN Cc1cc(OCc2ccccc2Cl)ncc1N ZINC000077425404 178213731 /nfs/dbraw/zinc/21/37/31/178213731.db2.gz VKNCNWPODRBXFG-UHFFFAOYSA-N 0 0 248.713 3.205 10 0 BGAERN Cc1cc(OCc2cccc(Cl)c2)ncc1N ZINC000077425407 178212523 /nfs/dbraw/zinc/21/25/23/178212523.db2.gz ZBRWZRRJKWUVDG-UHFFFAOYSA-N 0 0 248.713 3.205 10 0 BGAERN Cc1cc(OCc2ccc(Cl)cc2)ncc1N ZINC000077425411 178211818 /nfs/dbraw/zinc/21/18/18/178211818.db2.gz YRTDMQNKBSLINP-UHFFFAOYSA-N 0 0 248.713 3.205 10 0 BGAERN Cc1nc(NCC(C)C)sc1Br ZINC000077425622 180015497 /nfs/dbraw/zinc/01/54/97/180015497.db2.gz LNKPPDYGHHXPKM-UHFFFAOYSA-N 0 0 249.177 3.282 10 0 BGAERN CC[C@H](C)Nc1nc(C)c(Br)s1 ZINC000077425627 171350417 /nfs/dbraw/zinc/35/04/17/171350417.db2.gz CRZAYHAGAMURBD-YFKPBYRVSA-N 0 0 249.177 3.424 10 0 BGAERN Cc1nc(NC(C)(C)C)sc1Br ZINC000077425640 180015507 /nfs/dbraw/zinc/01/55/07/180015507.db2.gz NIWYAJSQUCVVPQ-UHFFFAOYSA-N 0 0 249.177 3.424 10 0 BGAERN CC(C)Cc1ccc([C@H]([NH2+]C(C)C)C(=O)[O-])cc1 ZINC000077429099 188136151 /nfs/dbraw/zinc/13/61/51/188136151.db2.gz NZIAKXPQNLCSQX-AWEZNQCLSA-N 0 0 249.354 3.009 10 0 BGAERN CC(C)Cc1ccc([C@@H]([NH2+]C(C)C)C(=O)[O-])cc1 ZINC000077429102 188136241 /nfs/dbraw/zinc/13/62/41/188136241.db2.gz NZIAKXPQNLCSQX-CQSZACIVSA-N 0 0 249.354 3.009 10 0 BGAERN CC[C@H](C)c1ccc([C@H]([NH2+]C(C)C)C(=O)[O-])cc1 ZINC000077429109 171411721 /nfs/dbraw/zinc/41/17/21/171411721.db2.gz KKMKIVFCUFCQAN-FZMZJTMJSA-N 0 0 249.354 3.324 10 0 BGAERN Cc1nnc(N[C@@H](C)c2ccccc2C)s1 ZINC000077487093 384411848 /nfs/dbraw/zinc/41/18/48/384411848.db2.gz ZHLNVFGBIPTSHF-VIFPVBQESA-N 0 0 233.340 3.328 10 0 BGAERN CCc1ccccc1CNC(=O)N[C@@H](C)C(C)C ZINC000077526237 535937691 /nfs/dbraw/zinc/93/76/91/535937691.db2.gz HXPSLBGAKAELRR-LBPRGKRZSA-N 0 0 248.370 3.093 10 0 BGAERN CCc1ccccc1CNC(=O)N[C@H](C)C(C)C ZINC000077526242 535939124 /nfs/dbraw/zinc/93/91/24/535939124.db2.gz HXPSLBGAKAELRR-GFCCVEGCSA-N 0 0 248.370 3.093 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC=CCC2)o1 ZINC000077545823 370432187 /nfs/dbraw/zinc/43/21/87/370432187.db2.gz XXYIHPQYICTTGT-NEPJUHHUSA-N 0 0 248.326 3.057 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CC=CCC2)o1 ZINC000077545826 370432176 /nfs/dbraw/zinc/43/21/76/370432176.db2.gz XXYIHPQYICTTGT-RYUDHWBXSA-N 0 0 248.326 3.057 10 0 BGAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC=CCC2)o1 ZINC000077545827 370431633 /nfs/dbraw/zinc/43/16/33/370431633.db2.gz XXYIHPQYICTTGT-VXGBXAGGSA-N 0 0 248.326 3.057 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC=CCC2)o1 ZINC000077545829 370431264 /nfs/dbraw/zinc/43/12/64/370431264.db2.gz XXYIHPQYICTTGT-NWDGAFQWSA-N 0 0 248.326 3.057 10 0 BGAERN COc1ccc(-c2nc(C(C)=O)sc2C)cc1 ZINC000077588149 175038769 /nfs/dbraw/zinc/03/87/69/175038769.db2.gz TWOFTCDTGHYFJP-UHFFFAOYSA-N 0 0 247.319 3.330 10 0 BGAERN Nc1csc(-c2ccccc2Cl)n1 ZINC000077588340 181772957 /nfs/dbraw/zinc/77/29/57/181772957.db2.gz KZZDFQYTSLHBDH-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN OCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000077596301 183100792 /nfs/dbraw/zinc/10/07/92/183100792.db2.gz ANGOPJCHAODNJP-UHFFFAOYSA-N 0 0 230.094 3.010 10 0 BGAERN O=Cc1c[nH]c2cc(Cl)c(Cl)cc12 ZINC000077597313 182861159 /nfs/dbraw/zinc/86/11/59/182861159.db2.gz BFVNFVHIBQGSAL-UHFFFAOYSA-N 0 0 214.051 3.287 10 0 BGAERN O=Cc1c[nH]c2c1ccc(Cl)c2Cl ZINC000077597362 388582506 /nfs/dbraw/zinc/58/25/06/388582506.db2.gz OTJCHOSZKRCMIB-UHFFFAOYSA-N 0 0 214.051 3.287 10 0 BGAERN COc1ccc(OC)c(-c2ccc(C=O)s2)c1 ZINC000077599798 641867789 /nfs/dbraw/zinc/86/77/89/641867789.db2.gz BGNTUZJDEURJPN-UHFFFAOYSA-N 0 0 248.303 3.245 10 0 BGAERN COc1ccc(-c2ccc(C=O)s2)cc1F ZINC000077599803 641867510 /nfs/dbraw/zinc/86/75/10/641867510.db2.gz RJACZNVLVAGSPT-UHFFFAOYSA-N 0 0 236.267 3.375 10 0 BGAERN COC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000077650432 325386911 /nfs/dbraw/zinc/38/69/11/325386911.db2.gz WINPFRFCXUHWFG-STQMWFEESA-N 0 0 218.296 3.087 10 0 BGAERN COC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000077650435 325386780 /nfs/dbraw/zinc/38/67/80/325386780.db2.gz WINPFRFCXUHWFG-OLZOCXBDSA-N 0 0 218.296 3.087 10 0 BGAERN COC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000077650439 325386878 /nfs/dbraw/zinc/38/68/78/325386878.db2.gz WINPFRFCXUHWFG-QWHCGFSZSA-N 0 0 218.296 3.087 10 0 BGAERN COC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000077650442 325386922 /nfs/dbraw/zinc/38/69/22/325386922.db2.gz WINPFRFCXUHWFG-CHWSQXEVSA-N 0 0 218.296 3.087 10 0 BGAERN O=C(N[C@H]1CCCc2ccccc21)C1CC=CC1 ZINC000077733289 182333924 /nfs/dbraw/zinc/33/39/24/182333924.db2.gz AKOFVHXNHNWCBS-HNNXBMFYSA-N 0 0 241.334 3.146 10 0 BGAERN C[C@H](NC(=O)C1CC=CC1)c1cccc(Cl)c1 ZINC000077733827 188136839 /nfs/dbraw/zinc/13/68/39/188136839.db2.gz MEUJOVSXSMBXJT-JTQLQIEISA-N 0 0 249.741 3.483 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)C2CC=CC2)cc1 ZINC000077733856 398256547 /nfs/dbraw/zinc/25/65/47/398256547.db2.gz YBXIWLUSTYVRSN-GFCCVEGCSA-N 0 0 243.350 3.392 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)C2CC=CC2)cc1 ZINC000077733857 398256578 /nfs/dbraw/zinc/25/65/78/398256578.db2.gz YBXIWLUSTYVRSN-LBPRGKRZSA-N 0 0 243.350 3.392 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)C1CC=CC1 ZINC000077733871 179336057 /nfs/dbraw/zinc/33/60/57/179336057.db2.gz YYMUMTYVKROMRF-LBPRGKRZSA-N 0 0 229.323 3.138 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC)cc1 ZINC000077825981 487805300 /nfs/dbraw/zinc/80/53/00/487805300.db2.gz VQGACWFFVCBBEQ-NWDGAFQWSA-N 0 0 248.370 3.408 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)N[C@@H](C)CC)cc1 ZINC000077825983 487805286 /nfs/dbraw/zinc/80/52/86/487805286.db2.gz VQGACWFFVCBBEQ-RYUDHWBXSA-N 0 0 248.370 3.408 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)N[C@H](C)CC)cc1 ZINC000077825985 487805092 /nfs/dbraw/zinc/80/50/92/487805092.db2.gz VQGACWFFVCBBEQ-NEPJUHHUSA-N 0 0 248.370 3.408 10 0 BGAERN O=C1Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000077952208 347256205 /nfs/dbraw/zinc/25/62/05/347256205.db2.gz RMRPHWOTGRRJGT-ZDUSSCGKSA-N 0 0 243.693 3.424 10 0 BGAERN Cc1ccnc(NC[C@@H](C)c2cccs2)n1 ZINC000077985674 344828762 /nfs/dbraw/zinc/82/87/62/344828762.db2.gz GTKYDLDSHBODSI-SECBINFHSA-N 0 0 233.340 3.062 10 0 BGAERN Cc1ccnc(NC[C@H](C)c2cccs2)n1 ZINC000077985677 344828711 /nfs/dbraw/zinc/82/87/11/344828711.db2.gz GTKYDLDSHBODSI-VIFPVBQESA-N 0 0 233.340 3.062 10 0 BGAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC000078032422 167376260 /nfs/dbraw/zinc/37/62/60/167376260.db2.gz SHMJGSMXWMTGIZ-VHSXEESVSA-N 0 0 225.357 3.012 10 0 BGAERN CC(C)[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC000078032423 384429085 /nfs/dbraw/zinc/42/90/85/384429085.db2.gz SHMJGSMXWMTGIZ-UWVGGRQHSA-N 0 0 225.357 3.012 10 0 BGAERN CC(C)[C@@H](C)NC(=O)[C@H](C)c1cccs1 ZINC000078032424 167378208 /nfs/dbraw/zinc/37/82/08/167378208.db2.gz SHMJGSMXWMTGIZ-NXEZZACHSA-N 0 0 225.357 3.012 10 0 BGAERN CC(C)[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC000078032425 187280211 /nfs/dbraw/zinc/28/02/11/187280211.db2.gz SHMJGSMXWMTGIZ-ZJUUUORDSA-N 0 0 225.357 3.012 10 0 BGAERN c1cn(CCc2ccccn2)c2ccccc12 ZINC000078065868 183395469 /nfs/dbraw/zinc/39/54/69/183395469.db2.gz PGGGPJBOOYCFEK-UHFFFAOYSA-N 0 0 222.291 3.279 10 0 BGAERN CCC1CCC(NC(=O)c2ccsc2)CC1 ZINC000078233653 535320701 /nfs/dbraw/zinc/32/07/01/535320701.db2.gz NEMFJPPYGACVHR-UHFFFAOYSA-N 0 0 237.368 3.447 10 0 BGAERN C/C=C/CCNc1cncc(Br)c1 ZINC000078261514 135110953 /nfs/dbraw/zinc/11/09/53/135110953.db2.gz UFPVJBBCJSKELZ-NSCUHMNNSA-N 0 0 241.132 3.222 10 0 BGAERN C/C=C/C=C/C(=O)NC1CCC(CC)CC1 ZINC000078262188 631338217 /nfs/dbraw/zinc/33/82/17/631338217.db2.gz NZGJLZPWMWRFIT-TWTPFVCWSA-N 0 0 221.344 3.204 10 0 BGAERN COc1cccc(COCc2ccccc2)c1 ZINC000078276883 175269589 /nfs/dbraw/zinc/26/95/89/175269589.db2.gz HFLJJNSHUKAVNC-UHFFFAOYSA-N 0 0 228.291 3.412 10 0 BGAERN CC[C@H](Nc1ccccn1)c1ccncc1 ZINC000078306426 344844255 /nfs/dbraw/zinc/84/42/55/344844255.db2.gz YNGFWCWZPIGFBU-LBPRGKRZSA-N 0 0 213.284 3.040 10 0 BGAERN CC[C@@H](Nc1ccccn1)c1ccncc1 ZINC000078306427 344844108 /nfs/dbraw/zinc/84/41/08/344844108.db2.gz YNGFWCWZPIGFBU-GFCCVEGCSA-N 0 0 213.284 3.040 10 0 BGAERN CC(C)[C@@H](C)NC(=O)N(C)C1CCCCC1 ZINC000078316193 325413533 /nfs/dbraw/zinc/41/35/33/325413533.db2.gz MUQHUBBQSYGQPI-LLVKDONJSA-N 0 0 226.364 3.005 10 0 BGAERN 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CC(C)Oc1ccccc1-c1cccnc1N ZINC000082350515 167308150 /nfs/dbraw/zinc/30/81/50/167308150.db2.gz AWLCZADHBDQEOM-UHFFFAOYSA-N 0 0 228.295 3.118 10 0 BGAERN CC(C)Oc1ccc(-c2ccnc(N)c2)cc1 ZINC000082350518 167287976 /nfs/dbraw/zinc/28/79/76/167287976.db2.gz GCCZDWGWIXGSDE-UHFFFAOYSA-N 0 0 228.295 3.118 10 0 BGAERN CC(C)Oc1ccccc1-c1ccnc(N)c1 ZINC000082350521 167308737 /nfs/dbraw/zinc/30/87/37/167308737.db2.gz NDVSEWAGYCSKTH-UHFFFAOYSA-N 0 0 228.295 3.118 10 0 BGAERN CC(C)Oc1ccccc1-c1ccncc1N ZINC000082350526 167307711 /nfs/dbraw/zinc/30/77/11/167307711.db2.gz YYMDDNNKGOMZRR-UHFFFAOYSA-N 0 0 228.295 3.118 10 0 BGAERN CC(C)Oc1ccc(-c2ccncc2N)cc1 ZINC000082350575 167288137 /nfs/dbraw/zinc/28/81/37/167288137.db2.gz SENOYQJAIPFITB-UHFFFAOYSA-N 0 0 228.295 3.118 10 0 BGAERN Cc1ccc2c(Br)csc2n1 ZINC000082351117 178938552 /nfs/dbraw/zinc/93/85/52/178938552.db2.gz VVMVWAHSPMYZPN-UHFFFAOYSA-N 0 0 228.114 3.367 10 0 BGAERN Brc1cccc2c1OCCCC2 ZINC000082359409 166101857 /nfs/dbraw/zinc/10/18/57/166101857.db2.gz 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187603420 /nfs/dbraw/zinc/60/34/20/187603420.db2.gz KJFDOQMYMRODBG-UHFFFAOYSA-N 0 0 222.650 3.123 10 0 BGAERN Cc1ccc(-c2ncccc2N)cc1Cl ZINC000082367898 178338111 /nfs/dbraw/zinc/33/81/11/178338111.db2.gz IPFXCOAASBMOMG-UHFFFAOYSA-N 0 0 218.687 3.293 10 0 BGAERN Cc1ccc(-c2cccnc2N)cc1Cl ZINC000082367902 178328252 /nfs/dbraw/zinc/32/82/52/178328252.db2.gz IEOXQZMIJHPBBN-UHFFFAOYSA-N 0 0 218.687 3.293 10 0 BGAERN COc1ccccc1-c1ccsc1C=O ZINC000082368373 368680268 /nfs/dbraw/zinc/68/02/68/368680268.db2.gz RNQZIEOWPOWZKT-UHFFFAOYSA-N 0 0 218.277 3.236 10 0 BGAERN COc1cccc(-c2ccsc2C=O)c1 ZINC000082368374 538002557 /nfs/dbraw/zinc/00/25/57/538002557.db2.gz XEFAXDWVMGJLDJ-UHFFFAOYSA-N 0 0 218.277 3.236 10 0 BGAERN CC(=O)c1sccc1-c1cccc(N)c1 ZINC000082368954 538002693 /nfs/dbraw/zinc/00/26/93/538002693.db2.gz RSVOOXVOCKUMAT-UHFFFAOYSA-N 0 0 217.293 3.200 10 0 BGAERN Brc1scc2c1CCCC2 ZINC000082369392 166109458 /nfs/dbraw/zinc/10/94/58/166109458.db2.gz MGBSNUBJLQKTNZ-UHFFFAOYSA-N 0 0 217.131 3.389 10 0 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CCc1ccc(-c2cncc(C=O)c2)cc1 ZINC000082373493 171778277 /nfs/dbraw/zinc/77/82/77/171778277.db2.gz IXBRLQUYPIERNR-UHFFFAOYSA-N 0 0 211.264 3.124 10 0 BGAERN C[C@@H]1Cc2ccc(Br)cc2C1 ZINC000082373776 176450625 /nfs/dbraw/zinc/45/06/25/176450625.db2.gz SGVVBJHMYGKAOF-SSDOTTSWSA-N 0 0 211.102 3.184 10 0 BGAERN C[C@H]1Cc2ccc(Br)cc2C1 ZINC000082373777 177388632 /nfs/dbraw/zinc/38/86/32/177388632.db2.gz SGVVBJHMYGKAOF-ZETCQYMHSA-N 0 0 211.102 3.184 10 0 BGAERN c1csc(N[C@H]2CCc3ccccc32)n1 ZINC000082375673 643307256 /nfs/dbraw/zinc/30/72/56/643307256.db2.gz SYDVLZQUZLXQGZ-NSHDSACASA-N 0 0 216.309 3.243 10 0 BGAERN CC(=O)c1c(C)[nH]c2cc(Cl)ccc21 ZINC000082377481 188174104 /nfs/dbraw/zinc/17/41/04/188174104.db2.gz YMTYYGFQXDAEQQ-UHFFFAOYSA-N 0 0 207.660 3.332 10 0 BGAERN CCc1ccc2[nH]c(C=O)c(Cl)c2c1 ZINC000082377488 188004016 /nfs/dbraw/zinc/00/40/16/188004016.db2.gz HQBGNFUUGXTDNH-UHFFFAOYSA-N 0 0 207.660 3.196 10 0 BGAERN Cc1cc2c(Cl)c(C=O)[nH]c2c(C)c1 ZINC000082377489 188174162 /nfs/dbraw/zinc/17/41/62/188174162.db2.gz LIOLMQYXKQHADH-UHFFFAOYSA-N 0 0 207.660 3.251 10 0 BGAERN Cc1cc2[nH]c(C=O)c(Cl)c2c(C)c1 ZINC000082377491 177878903 /nfs/dbraw/zinc/87/89/03/177878903.db2.gz NUASBKMDDMOKFA-UHFFFAOYSA-N 0 0 207.660 3.251 10 0 BGAERN COc1c2c(C)csc2ccc1C=O ZINC000082378636 174927085 /nfs/dbraw/zinc/92/70/85/174927085.db2.gz SBRJJOUCGMTYNQ-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1ccc2cc(C(C)=O)sc2c1 ZINC000082378638 175223885 /nfs/dbraw/zinc/22/38/85/175223885.db2.gz YQXOBZJBQVTIMJ-UHFFFAOYSA-N 0 0 206.266 3.113 10 0 BGAERN COc1sc2cccc(C)c2c1C=O ZINC000082378640 175418652 /nfs/dbraw/zinc/41/86/52/175418652.db2.gz ULBSYYZVRFGFSM-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1ccc(C)c2cc(C=O)sc21 ZINC000082378650 175071407 /nfs/dbraw/zinc/07/14/07/175071407.db2.gz XVFYCMYTOZIKTE-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1ccc2sc(C=O)cc2c1C ZINC000082378651 175232440 /nfs/dbraw/zinc/23/24/40/175232440.db2.gz CEXDRPPLGBXTDT-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1cc2cc(C=O)sc2cc1C ZINC000082378652 175026325 /nfs/dbraw/zinc/02/63/25/175026325.db2.gz SRAPCRTUEPBMPG-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1cc2c(C=O)csc2cc1C ZINC000082378656 175018400 /nfs/dbraw/zinc/01/84/00/175018400.db2.gz PJWYUUVVVFWFGV-UHFFFAOYSA-N 0 0 206.266 3.031 10 0 BGAERN COc1ccc(-c2sccc2N)cc1 ZINC000082379527 175043931 /nfs/dbraw/zinc/04/39/31/175043931.db2.gz SDOQZNGTCPZCCM-UHFFFAOYSA-N 0 0 205.282 3.006 10 0 BGAERN Brc1cscc1C1CC1 ZINC000082381363 166106302 /nfs/dbraw/zinc/10/63/02/166106302.db2.gz XTKQFNRZDXFTHX-UHFFFAOYSA-N 0 0 203.104 3.388 10 0 BGAERN FC(F)(F)[C@@H]1CCNc2ccccc21 ZINC000082382315 384674729 /nfs/dbraw/zinc/67/47/29/384674729.db2.gz RMSJJHZOMXZVMU-MRVPVSSYSA-N 0 0 201.191 3.148 10 0 BGAERN FC(F)(F)[C@H]1CCNc2ccccc21 ZINC000082382316 180890068 /nfs/dbraw/zinc/89/00/68/180890068.db2.gz RMSJJHZOMXZVMU-QMMMGPOBSA-N 0 0 201.191 3.148 10 0 BGAERN CCNc1nc(-c2scnc2C)cs1 ZINC000082418887 170175929 /nfs/dbraw/zinc/17/59/29/170175929.db2.gz 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/nfs/dbraw/zinc/31/51/97/169315197.db2.gz IONVRYJFEGHVEF-UHFFFAOYSA-N 0 0 249.358 3.400 10 0 BGAERN CCOc1cc(N[C@@H]2CCCC[C@@H]2C)nc(C)n1 ZINC000082482724 170527389 /nfs/dbraw/zinc/52/73/89/170527389.db2.gz PQJNLDNQGCXHCN-CMPLNLGQSA-N 0 0 249.358 3.174 10 0 BGAERN CCOc1cc(N[C@H]2CCCC[C@H]2C)nc(C)n1 ZINC000082482727 170527162 /nfs/dbraw/zinc/52/71/62/170527162.db2.gz PQJNLDNQGCXHCN-PWSUYJOCSA-N 0 0 249.358 3.174 10 0 BGAERN CCNc1cc(OCC(C)C)nc(C(C)C)n1 ZINC000082483218 170172986 /nfs/dbraw/zinc/17/29/86/170172986.db2.gz RXHJUUQCLJUFQF-UHFFFAOYSA-N 0 0 237.347 3.067 10 0 BGAERN CCCCOc1cc(NCC)nc(C(C)C)n1 ZINC000082483364 168915333 /nfs/dbraw/zinc/91/53/33/168915333.db2.gz WDRISCHZPVDZRI-UHFFFAOYSA-N 0 0 237.347 3.211 10 0 BGAERN CCCCOc1cc(NCC)nc(CCC)n1 ZINC000082483399 168915161 /nfs/dbraw/zinc/91/51/61/168915161.db2.gz FMWRTBBEZPZSEU-UHFFFAOYSA-N 0 0 237.347 3.040 10 0 BGAERN CCCNc1nc(C)nc2sc(C)cc21 ZINC000082485728 169295508 /nfs/dbraw/zinc/29/55/08/169295508.db2.gz 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CCC[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000082725273 634536918 /nfs/dbraw/zinc/53/69/18/634536918.db2.gz WRUSMVRBTVRRAX-VIFPVBQESA-N 0 0 234.126 3.499 10 0 BGAERN CCC[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000082725274 634537396 /nfs/dbraw/zinc/53/73/96/634537396.db2.gz WRUSMVRBTVRRAX-SECBINFHSA-N 0 0 234.126 3.499 10 0 BGAERN CC(C)Oc1c(Cl)cc(N)cc1Cl ZINC000082725753 167284928 /nfs/dbraw/zinc/28/49/28/167284928.db2.gz RCMSGRPKGDTMMB-UHFFFAOYSA-N 0 0 220.099 3.363 10 0 BGAERN Cc1cc2sc(N)nc2c2ccccc12 ZINC000082727131 178309649 /nfs/dbraw/zinc/30/96/49/178309649.db2.gz JQZQMZXXJFFVFE-UHFFFAOYSA-N 0 0 214.293 3.340 10 0 BGAERN CCCCCOc1ccc2nc(N)sc2c1 ZINC000082727140 388129179 /nfs/dbraw/zinc/12/91/79/388129179.db2.gz INGLKZDCVONVGH-UHFFFAOYSA-N 0 0 236.340 3.448 10 0 BGAERN COCCNc1nc2ccc(Cl)cc2s1 ZINC000082727249 174342447 /nfs/dbraw/zinc/34/24/47/174342447.db2.gz OKCJEVGJMOFFKP-UHFFFAOYSA-N 0 0 242.731 3.008 10 0 BGAERN CCNc1nc2cc(C)c(C)cc2s1 ZINC000082727774 170177780 /nfs/dbraw/zinc/17/77/80/170177780.db2.gz RTCITJHLEVBQLD-UHFFFAOYSA-N 0 0 206.314 3.345 10 0 BGAERN CCCNc1nc2ccc(F)cc2s1 ZINC000082727949 169297003 /nfs/dbraw/zinc/29/70/03/169297003.db2.gz NRHFFLJPVJHIRO-UHFFFAOYSA-N 0 0 210.277 3.257 10 0 BGAERN CNc1nc2ccc(SC)cc2s1 ZINC000082728312 173487977 /nfs/dbraw/zinc/48/79/77/173487977.db2.gz HJXBYLAQFUWCJL-UHFFFAOYSA-N 0 0 210.327 3.060 10 0 BGAERN Cc1ccc(-c2cnc(N)c(C)c2)cc1C ZINC000082730032 178329254 /nfs/dbraw/zinc/32/92/54/178329254.db2.gz AXKLVDUDFZDEPP-UHFFFAOYSA-N 0 0 212.296 3.256 10 0 BGAERN COc1ccc(Cl)cc1-c1cnc(N)c(C)c1 ZINC000082730068 175119678 /nfs/dbraw/zinc/11/96/78/175119678.db2.gz UYYNBFGEDAUNPE-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN COc1ccc(-c2cnc(N)c(C)c2)cc1Cl ZINC000082730069 175035651 /nfs/dbraw/zinc/03/56/51/175035651.db2.gz ZFVFWQXFCANNGN-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN Cc1cc(N)ncc1-c1ccccc1Cl ZINC000082730089 178109095 /nfs/dbraw/zinc/10/90/95/178109095.db2.gz LJCHNIRXSBBWLT-UHFFFAOYSA-N 0 0 218.687 3.293 10 0 BGAERN Cc1cc(N)ncc1-c1cccc(Cl)c1 ZINC000082730090 178110314 /nfs/dbraw/zinc/11/03/14/178110314.db2.gz PBPLRGZAMXFLTD-UHFFFAOYSA-N 0 0 218.687 3.293 10 0 BGAERN Cc1cc(N)ncc1-c1ccc(Cl)cc1 ZINC000082730091 178109438 /nfs/dbraw/zinc/10/94/38/178109438.db2.gz NEYOVSDZQQTOTP-UHFFFAOYSA-N 0 0 218.687 3.293 10 0 BGAERN Cc1cc(N)ncc1-c1ccc2ccccc2n1 ZINC000082730107 178109372 /nfs/dbraw/zinc/10/93/72/178109372.db2.gz YFLWNFQVBGZYIY-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN Cc1cc(N)ncc1-c1cnc2ccccc2c1 ZINC000082730108 178109607 /nfs/dbraw/zinc/10/96/07/178109607.db2.gz QTPVDWWFCBKUAL-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN Cc1cc(N)ncc1-c1ccc2ncccc2c1 ZINC000082730109 178110044 /nfs/dbraw/zinc/11/00/44/178110044.db2.gz WYZLIMOZROOIRJ-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN Cc1cc(N)ncc1-c1cccc2cccnc21 ZINC000082730110 178109039 /nfs/dbraw/zinc/10/90/39/178109039.db2.gz FWNOOKRYIIHMNV-UHFFFAOYSA-N 0 0 235.290 3.187 10 0 BGAERN Cc1cc(N)ncc1-c1ccc(F)c(Cl)c1 ZINC000082730111 178110247 /nfs/dbraw/zinc/11/02/47/178110247.db2.gz IWJMGEFZFPZEDX-UHFFFAOYSA-N 0 0 236.677 3.432 10 0 BGAERN COc1ccc(Cl)cc1-c1cnc(N)cc1C ZINC000082730120 175119712 /nfs/dbraw/zinc/11/97/12/175119712.db2.gz WRBQUOKOVKZOKD-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN COc1ccc(-c2cnc(N)cc2C)cc1Cl ZINC000082730121 175036215 /nfs/dbraw/zinc/03/62/15/175036215.db2.gz SZAVOZWGCZENEE-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN Cc1ccc(-c2ccc(N)nc2C)cc1C ZINC000082730144 178325856 /nfs/dbraw/zinc/32/58/56/178325856.db2.gz BGORGKXAEILFQC-UHFFFAOYSA-N 0 0 212.296 3.256 10 0 BGAERN COc1ccc(Cl)cc1-c1ccc(N)nc1C ZINC000082730181 175119722 /nfs/dbraw/zinc/11/97/22/175119722.db2.gz UPGYSLXSLJKLEP-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN COc1ccc(-c2ccc(N)nc2C)cc1Cl ZINC000082730182 175033636 /nfs/dbraw/zinc/03/36/36/175033636.db2.gz QHCKSGPNVZPRHW-UHFFFAOYSA-N 0 0 248.713 3.301 10 0 BGAERN Cc1ccc(-c2cnc(N)cc2C)cc1C ZINC000082730394 178329359 /nfs/dbraw/zinc/32/93/59/178329359.db2.gz WHXRAHZUBQZWQH-UHFFFAOYSA-N 0 0 212.296 3.256 10 0 BGAERN CC(C)(C)[C@H](O)CSc1ccc(F)cc1 ZINC000082730690 322825134 /nfs/dbraw/zinc/82/51/34/322825134.db2.gz ZMBPQOPOAIBVDP-LLVKDONJSA-N 0 0 228.332 3.325 10 0 BGAERN CC(C)(C)[C@@H](O)CSc1ccc(F)cc1 ZINC000082730691 384438869 /nfs/dbraw/zinc/43/88/69/384438869.db2.gz ZMBPQOPOAIBVDP-NSHDSACASA-N 0 0 228.332 3.325 10 0 BGAERN CC(C)Nc1nc2cc(Cl)ccc2[nH]1 ZINC000082739889 167148696 /nfs/dbraw/zinc/14/86/96/167148696.db2.gz SWYYVRPCYXBQAF-UHFFFAOYSA-N 0 0 209.680 3.037 10 0 BGAERN CCNc1nc(Cl)cc2ccccc21 ZINC000082753483 170177453 /nfs/dbraw/zinc/17/74/53/170177453.db2.gz GWVWYOAGJZQNIL-UHFFFAOYSA-N 0 0 206.676 3.320 10 0 BGAERN Cc1cccc2c(Br)nccc12 ZINC000082766519 179207716 /nfs/dbraw/zinc/20/77/16/179207716.db2.gz MMXZWXWTKIXVDT-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN COc1cccc2c(Br)nccc12 ZINC000082766526 175298480 /nfs/dbraw/zinc/29/84/80/175298480.db2.gz KTDDVMYKNBURHW-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN Fc1cc(F)c2ccnc(Br)c2c1 ZINC000082766528 180953261 /nfs/dbraw/zinc/95/32/61/180953261.db2.gz SDGFKPHWFGYTGY-UHFFFAOYSA-N 0 0 244.038 3.276 10 0 BGAERN Cc1cc2ccccc2c(Br)n1 ZINC000082766547 178296950 /nfs/dbraw/zinc/29/69/50/178296950.db2.gz GTQQOCKGOGXHAJ-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN Fc1cc2c(Cl)nccc2c(F)c1F ZINC000082766589 180955913 /nfs/dbraw/zinc/95/59/13/180955913.db2.gz QAAHITRHDLKFQW-UHFFFAOYSA-N 0 0 217.577 3.306 10 0 BGAERN Cc1cc(Br)c2ccncc2c1 ZINC000082767293 187830022 /nfs/dbraw/zinc/83/00/22/187830022.db2.gz DIRZYFXMAQTMSY-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN Fc1cc(Br)c2ccncc2c1 ZINC000082767295 385661764 /nfs/dbraw/zinc/66/17/64/385661764.db2.gz XOSLHAZDQHOMEE-UHFFFAOYSA-N 0 0 226.048 3.136 10 0 BGAERN Cc1ccc(Br)c2ccncc12 ZINC000082767300 188178761 /nfs/dbraw/zinc/17/87/61/188178761.db2.gz MQAYLCDYWHWRHK-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN CNc1ncc(Br)c2ccccc21 ZINC000082767386 384710433 /nfs/dbraw/zinc/71/04/33/384710433.db2.gz ZYZXWOCELOGOQH-UHFFFAOYSA-N 0 0 237.100 3.039 10 0 BGAERN O=Cc1nccc2c(Cl)cc(Cl)cc12 ZINC000082768978 182876292 /nfs/dbraw/zinc/87/62/92/182876292.db2.gz KFQZADBJHWWPIB-UHFFFAOYSA-N 0 0 226.062 3.354 10 0 BGAERN Cc1ccc2cc(Cl)cc(C=O)c2n1 ZINC000082769000 178969650 /nfs/dbraw/zinc/96/96/50/178969650.db2.gz NBKKBYCQQHHOIM-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1ccnc2c(C=O)cc(Cl)cc12 ZINC000082769020 179471126 /nfs/dbraw/zinc/47/11/26/179471126.db2.gz MQNITUDEENPWPX-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc(C=O)nc2c(Cl)cccc12 ZINC000082769035 188535762 /nfs/dbraw/zinc/53/57/62/188535762.db2.gz BGFJNIUMUCWOFY-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc(C=O)nc2cc(Cl)ccc12 ZINC000082769036 187830053 /nfs/dbraw/zinc/83/00/53/187830053.db2.gz OAILDUSLPSLJCM-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc(C=O)nc2ccc(Cl)cc12 ZINC000082769037 187317898 /nfs/dbraw/zinc/31/78/98/187317898.db2.gz LIBZDAGFSBFDBJ-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc(Cl)c2cccc(C=O)c2n1 ZINC000082769106 178061981 /nfs/dbraw/zinc/06/19/81/178061981.db2.gz HZAGNQCALZLOPS-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN Cc1cc(Cl)c2ccc(C=O)cc2n1 ZINC000082769107 178062678 /nfs/dbraw/zinc/06/26/78/178062678.db2.gz HOSOQDOSOGQBPQ-UHFFFAOYSA-N 0 0 205.644 3.009 10 0 BGAERN CC(=O)c1nccc2ccc(Cl)cc21 ZINC000082778710 166490085 /nfs/dbraw/zinc/49/00/85/166490085.db2.gz QNQMQZWJXZLBMP-UHFFFAOYSA-N 0 0 205.644 3.091 10 0 BGAERN CC(=O)c1nccc2cc(Cl)ccc21 ZINC000082778712 166490291 /nfs/dbraw/zinc/49/02/91/166490291.db2.gz RKXHYLOEHURPDU-UHFFFAOYSA-N 0 0 205.644 3.091 10 0 BGAERN OCc1cc(Cl)c(Cl)c2ccncc12 ZINC000082778868 183161235 /nfs/dbraw/zinc/16/12/35/183161235.db2.gz POEBNLVMVQWFLF-UHFFFAOYSA-N 0 0 228.078 3.034 10 0 BGAERN Cc1cccc2c1-c1sccc1C2=O ZINC000082782893 179212789 /nfs/dbraw/zinc/21/27/89/179212789.db2.gz RXMQTQHQQXQIHT-UHFFFAOYSA-N 0 0 200.262 3.268 10 0 BGAERN COc1cccc2nc(Cl)cc(C)c21 ZINC000082788458 175307411 /nfs/dbraw/zinc/30/74/11/175307411.db2.gz FHXRYNDFDKJIOR-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN Cc1cc(Cl)nc2c(F)ccc(F)c12 ZINC000082788460 178073425 /nfs/dbraw/zinc/07/34/25/178073425.db2.gz GYOCEUMZTNTGSF-UHFFFAOYSA-N 0 0 213.614 3.475 10 0 BGAERN Cc1cc(Br)c2cccc(O)c2n1 ZINC000082788677 188097472 /nfs/dbraw/zinc/09/74/72/188097472.db2.gz AXGSNPLUVDMZAR-UHFFFAOYSA-N 0 0 238.084 3.011 10 0 BGAERN Oc1cccc2c(Cl)cc(Cl)nc12 ZINC000082788788 183293738 /nfs/dbraw/zinc/29/37/38/183293738.db2.gz KBHJUIHYGICCPR-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN O=c1cccc2[nH]c(Cl)cc(Cl)c1-2 ZINC000082788792 183298030 /nfs/dbraw/zinc/29/80/30/183298030.db2.gz IWBHNYRDEBWCQD-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN COc1cc(C)nc2cc(Cl)ccc21 ZINC000082788935 174974777 /nfs/dbraw/zinc/97/47/77/174974777.db2.gz HHFXMTRHIYANJF-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN COc1ccc2ncccc2c1Br ZINC000082789153 175229729 /nfs/dbraw/zinc/22/97/29/175229729.db2.gz LDJQZIVTHZTBGV-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN CC(=O)C[C@H](C)Sc1cc(F)ccc1F ZINC000082794269 537924245 /nfs/dbraw/zinc/92/42/45/537924245.db2.gz AWUCOIYTVCOZPI-QMMMGPOBSA-N 0 0 230.279 3.425 10 0 BGAERN CC(=O)C[C@@H](C)Sc1cc(F)ccc1F ZINC000082794271 537923529 /nfs/dbraw/zinc/92/35/29/537923529.db2.gz AWUCOIYTVCOZPI-MRVPVSSYSA-N 0 0 230.279 3.425 10 0 BGAERN CC(C)C(=O)c1cccc(Cl)c1F ZINC000082815842 384719151 /nfs/dbraw/zinc/71/91/51/384719151.db2.gz QXMKRXIBIHJVHO-UHFFFAOYSA-N 0 0 200.640 3.318 10 0 BGAERN C[C@H]1CC([NH2+]Cc2ccco2)C[C@@H](C)C1 ZINC000082829185 176055473 /nfs/dbraw/zinc/05/54/73/176055473.db2.gz BYQVPFREXKFPGJ-FOSCPWQOSA-N 0 0 207.317 3.194 10 0 BGAERN C[C@H]1C[C@H](C)CC(O)(c2ccccc2)C1 ZINC000082831730 259451737 /nfs/dbraw/zinc/45/17/37/259451737.db2.gz UOKVCUMFAPCMJD-RYUDHWBXSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1C[C@@H](C)CC(O)(c2ccccc2)C1 ZINC000082831731 386945277 /nfs/dbraw/zinc/94/52/77/386945277.db2.gz UOKVCUMFAPCMJD-VXGBXAGGSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC(n2cc(Cl)c(N)n2)C[C@@H](C)C1 ZINC000082832716 537945231 /nfs/dbraw/zinc/94/52/31/537945231.db2.gz VJISSSVGBFFZFE-YUMQZZPRSA-N 0 0 227.739 3.116 10 0 BGAERN C[C@H]1CC(n2cc(Cl)c(N)n2)C[C@H](C)C1 ZINC000082832717 537945268 /nfs/dbraw/zinc/94/52/68/537945268.db2.gz VJISSSVGBFFZFE-HTQZYQBOSA-N 0 0 227.739 3.116 10 0 BGAERN C[C@@H]1CC[C@](O)(c2ccccc2)C[C@@H]1C ZINC000082838894 386945463 /nfs/dbraw/zinc/94/54/63/386945463.db2.gz YHKWYMLTWGVIPL-MBNYWOFBSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2ccccc2)C[C@@H]1C ZINC000082838898 386944224 /nfs/dbraw/zinc/94/42/24/386944224.db2.gz YHKWYMLTWGVIPL-DYEKYZERSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@H](n2cc(Cl)c(N)n2)C[C@@H]1C ZINC000082841865 537969780 /nfs/dbraw/zinc/96/97/80/537969780.db2.gz MZRAPMMIJZVYNE-VGMNWLOBSA-N 0 0 227.739 3.116 10 0 BGAERN C[C@@H]1CC[C@@H](n2cc(Cl)c(N)n2)C[C@@H]1C ZINC000082841870 537969512 /nfs/dbraw/zinc/96/95/12/537969512.db2.gz MZRAPMMIJZVYNE-HRDYMLBCSA-N 0 0 227.739 3.116 10 0 BGAERN CCC1CCC(n2cc(Cl)c(N)n2)CC1 ZINC000082848538 538019999 /nfs/dbraw/zinc/01/99/99/538019999.db2.gz DAWAYCITVZRWQB-UHFFFAOYSA-N 0 0 227.739 3.260 10 0 BGAERN CC1CCC(n2cc(Br)cn2)CC1 ZINC000082856214 168169170 /nfs/dbraw/zinc/16/91/70/168169170.db2.gz JHOYXKFBZPDPON-UHFFFAOYSA-N 0 0 243.148 3.397 10 0 BGAERN C[C@@H]1CC[C@](O)(c2ccccc2)[C@H](C)C1 ZINC000082861390 259451744 /nfs/dbraw/zinc/45/17/44/259451744.db2.gz ZFLVDPHCAQURFU-YRGRVCCFSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2ccccc2)[C@H](C)C1 ZINC000082861392 386944633 /nfs/dbraw/zinc/94/46/33/386944633.db2.gz ZFLVDPHCAQURFU-BZPMIXESSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@H](C)[C@](O)(c2ccccc2)C1 ZINC000082861582 259451783 /nfs/dbraw/zinc/45/17/83/259451783.db2.gz KFDKEILKLSKJTO-DYEKYZERSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@@H](C)[C@](O)(c2ccccc2)C1 ZINC000082861584 386944089 /nfs/dbraw/zinc/94/40/89/386944089.db2.gz KFDKEILKLSKJTO-BZPMIXESSA-N 0 0 204.313 3.330 10 0 BGAERN FC(F)(F)CN[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862735 348855454 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BGAERN CCOC(=O)c1ncsc1-c1ccsc1 ZINC000083239005 170309142 /nfs/dbraw/zinc/30/91/42/170309142.db2.gz DNDFIWRDOOXCQG-UHFFFAOYSA-N 0 0 239.321 3.048 10 0 BGAERN CCOC(=O)c1ncsc1-c1cccs1 ZINC000083239012 170308938 /nfs/dbraw/zinc/30/89/38/170308938.db2.gz VHZSATKCRATFAP-UHFFFAOYSA-N 0 0 239.321 3.048 10 0 BGAERN OCc1ncc(-c2c(F)cccc2Cl)s1 ZINC000083250358 183170932 /nfs/dbraw/zinc/17/09/32/183170932.db2.gz JPSPOQWREBBKTD-UHFFFAOYSA-N 0 0 243.690 3.095 10 0 BGAERN Cc1cc([C@@H](C)NN2CCCCC2)c(C)s1 ZINC000083251461 178229561 /nfs/dbraw/zinc/22/95/61/178229561.db2.gz XZTDQKUKWLVBER-LLVKDONJSA-N 0 0 238.400 3.416 10 0 BGAERN Cc1cc([C@H](C)NN2CCCCC2)c(C)s1 ZINC000083251462 178252316 /nfs/dbraw/zinc/25/23/16/178252316.db2.gz XZTDQKUKWLVBER-NSHDSACASA-N 0 0 238.400 3.416 10 0 BGAERN Cc1ncsc1CSc1ccc(N)cc1 ZINC000083252004 180324058 /nfs/dbraw/zinc/32/40/58/180324058.db2.gz XAJJOXLBGDIZNO-UHFFFAOYSA-N 0 0 236.365 3.326 10 0 BGAERN Cc1ncsc1CSc1cccc(N)c1 ZINC000083252014 180324504 /nfs/dbraw/zinc/32/45/04/180324504.db2.gz YMEYHWFROFTXSY-UHFFFAOYSA-N 0 0 236.365 3.326 10 0 BGAERN Cc1cnc(CSc2cccc(N)c2)s1 ZINC000083252016 179616933 /nfs/dbraw/zinc/61/69/33/179616933.db2.gz SJBKQEFXUGNMFK-UHFFFAOYSA-N 0 0 236.365 3.326 10 0 BGAERN CC(C)Oc1ccc2c(N)cccc2c1 ZINC000083253312 167303111 /nfs/dbraw/zinc/30/31/11/167303111.db2.gz XAKDUNGOEXMSRE-UHFFFAOYSA-N 0 0 201.269 3.209 10 0 BGAERN C/C(=C/c1ccccc1Br)[N+](=O)[O-] ZINC000083253428 187242736 /nfs/dbraw/zinc/24/27/36/187242736.db2.gz PJRAZNOJIMDDKU-SREVYHEPSA-N 0 0 242.072 3.087 10 0 BGAERN C/C(=C/c1ccccc1C(F)(F)F)[N+](=O)[O-] ZINC000083253445 191007497 /nfs/dbraw/zinc/00/74/97/191007497.db2.gz ZGTFTHNTJHWLGZ-SREVYHEPSA-N 0 0 231.173 3.343 10 0 BGAERN COc1cc(N)ccc1C1CCCCC1 ZINC000083254951 187605384 /nfs/dbraw/zinc/60/53/84/187605384.db2.gz ZOGVSXGNIALROH-UHFFFAOYSA-N 0 0 205.301 3.325 10 0 BGAERN CNc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000083255618 173479081 /nfs/dbraw/zinc/47/90/81/173479081.db2.gz BVAXBEKMSGDUBK-UHFFFAOYSA-N 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187581372 /nfs/dbraw/zinc/58/13/72/187581372.db2.gz RNHKRWIBDZEYLO-UHFFFAOYSA-N 0 0 208.326 3.275 10 0 BGAERN CSc1ccc(C(=O)C2(C)CC2)cc1 ZINC000083265322 188008680 /nfs/dbraw/zinc/00/86/80/188008680.db2.gz ZHYZHRBLAATPHW-UHFFFAOYSA-N 0 0 206.310 3.391 10 0 BGAERN CC(=O)c1cnc2ccc(Cl)cc2c1 ZINC000083285763 188355555 /nfs/dbraw/zinc/35/55/55/188355555.db2.gz XTLBSUNMBJYXSG-UHFFFAOYSA-N 0 0 205.644 3.091 10 0 BGAERN CO/C=C\c1ccc(Br)cc1 ZINC000083290882 384757617 /nfs/dbraw/zinc/75/76/17/384757617.db2.gz CZIZBDGFTLQZQI-SREVYHEPSA-N 0 0 213.074 3.066 10 0 BGAERN S=c1[nH]cccc1OCc1ccccc1 ZINC000083302552 183315311 /nfs/dbraw/zinc/31/53/11/183315311.db2.gz FSIFYNPMYLWQCA-UHFFFAOYSA-N 0 0 217.293 3.323 10 0 BGAERN C(=C\c1ccccn1)\c1nc2ccccc2o1 ZINC000083325617 644404740 /nfs/dbraw/zinc/40/47/40/644404740.db2.gz VHJLGXFFKGNEAT-HJWRWDBZSA-N 0 0 222.247 3.393 10 0 BGAERN C=Cc1nc(-c2ccc(N)cc2)cs1 ZINC000083343817 188355534 /nfs/dbraw/zinc/35/55/34/188355534.db2.gz RITOFEOXEUZDSN-UHFFFAOYSA-N 0 0 202.282 3.035 10 0 BGAERN Oc1ccccc1NCc1cccs1 ZINC000083344412 183303796 /nfs/dbraw/zinc/30/37/96/183303796.db2.gz APFBQBGHNKTKNN-UHFFFAOYSA-N 0 0 205.282 3.066 10 0 BGAERN CCCNc1ccc(F)c(Cl)c1F ZINC000083344533 169294586 /nfs/dbraw/zinc/29/45/86/169294586.db2.gz USAFADHLGZDSNT-UHFFFAOYSA-N 0 0 205.635 3.440 10 0 BGAERN CCCNc1ccc2sc(C)nc2c1 ZINC000083344878 169295230 /nfs/dbraw/zinc/29/52/30/169295230.db2.gz FSQHVFVICQZJFO-UHFFFAOYSA-N 0 0 206.314 3.427 10 0 BGAERN Cc1cccc(N)c1NCCC(C)(C)C ZINC000083344889 179120350 /nfs/dbraw/zinc/12/03/50/179120350.db2.gz BNQLPLCSIKBXHF-UHFFFAOYSA-N 0 0 206.333 3.425 10 0 BGAERN CCC(CC)CNc1c(C)cccc1N ZINC000083344891 168365105 /nfs/dbraw/zinc/36/51/05/168365105.db2.gz LSCJSNTWHLUFDJ-UHFFFAOYSA-N 0 0 206.333 3.425 10 0 BGAERN CCC[C@@H](C)CNc1ccc(CO)cc1 ZINC000083345221 169360712 /nfs/dbraw/zinc/36/07/12/169360712.db2.gz NYQJZRYAQOKWEU-LLVKDONJSA-N 0 0 207.317 3.027 10 0 BGAERN CCC[C@H](C)CNc1ccc(CO)cc1 ZINC000083345222 169483660 /nfs/dbraw/zinc/48/36/60/169483660.db2.gz NYQJZRYAQOKWEU-NSHDSACASA-N 0 0 207.317 3.027 10 0 BGAERN CCC(CC)CNc1ccc(CO)cc1 ZINC000083345224 168364416 /nfs/dbraw/zinc/36/44/16/168364416.db2.gz MWGBZHGIMCEKBZ-UHFFFAOYSA-N 0 0 207.317 3.027 10 0 BGAERN Cc1ccc(NCCc2ccccc2)cn1 ZINC000083347031 643438442 /nfs/dbraw/zinc/43/84/42/643438442.db2.gz MPDAIIWKQVRLSU-UHFFFAOYSA-N 0 0 212.296 3.045 10 0 BGAERN Cc1cccc(CNc2ccccn2)c1C ZINC000083347049 188123150 /nfs/dbraw/zinc/12/31/50/188123150.db2.gz MUSTXHFWACZBHB-UHFFFAOYSA-N 0 0 212.296 3.311 10 0 BGAERN Cc1cccc(O)c1NCc1ccccc1 ZINC000083347431 179161810 /nfs/dbraw/zinc/16/18/10/179161810.db2.gz UFIUXBSEQAMYSR-UHFFFAOYSA-N 0 0 213.280 3.313 10 0 BGAERN Cc1cccc(NCc2ccccc2)c1O ZINC000083347433 179150286 /nfs/dbraw/zinc/15/02/86/179150286.db2.gz NRVVIMPDPXTZEN-UHFFFAOYSA-N 0 0 213.280 3.313 10 0 BGAERN Cc1ccc(O)c(NCc2ccccc2)c1 ZINC000083347441 178802843 /nfs/dbraw/zinc/80/28/43/178802843.db2.gz XJWYSGBLECRJSE-UHFFFAOYSA-N 0 0 213.280 3.313 10 0 BGAERN 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/nfs/dbraw/zinc/35/90/81/541359081.db2.gz TWHFKYKLWJOVHY-LBPRGKRZSA-N 0 0 221.348 3.194 10 0 BGAERN CCc1cc(N[C@H](CC)C(C)C)nc(C)n1 ZINC000084082042 135182389 /nfs/dbraw/zinc/18/23/89/135182389.db2.gz TWHFKYKLWJOVHY-GFCCVEGCSA-N 0 0 221.348 3.194 10 0 BGAERN Oc1cnc2c(Cl)cc(Cl)cc2c1 ZINC000084122431 538527181 /nfs/dbraw/zinc/52/71/81/538527181.db2.gz IMCVULXDORMWHT-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN Cc1cc(Br)cc2cc(O)cnc12 ZINC000084122453 538526606 /nfs/dbraw/zinc/52/66/06/538526606.db2.gz UGIDNWCRQXPRMW-UHFFFAOYSA-N 0 0 238.084 3.011 10 0 BGAERN CC1(C)CCc2nc(Cl)nc(Cl)c2C1 ZINC000084123198 344188477 /nfs/dbraw/zinc/18/84/77/344188477.db2.gz PMKQYNWQDKXLGL-UHFFFAOYSA-N 0 0 231.126 3.298 10 0 BGAERN CC(C)[C@@H]1CCCN1c1ccc(N)cc1F ZINC000084125299 187624227 /nfs/dbraw/zinc/62/42/27/187624227.db2.gz VLFPCUDGQAXHTO-LBPRGKRZSA-N 0 0 222.307 3.033 10 0 BGAERN CC(C)[C@H]1CCCN1c1ccc(N)cc1F ZINC000084125301 384840248 /nfs/dbraw/zinc/84/02/48/384840248.db2.gz VLFPCUDGQAXHTO-GFCCVEGCSA-N 0 0 222.307 3.033 10 0 BGAERN CC(C)[C@@H]1CCCN1c1ccc(C=O)cc1 ZINC000084126456 187779071 /nfs/dbraw/zinc/77/90/71/187779071.db2.gz KYLRPAFBQVDCEZ-AWEZNQCLSA-N 0 0 217.312 3.124 10 0 BGAERN Cc1cc(Br)cc2c1NCC2(C)C ZINC000084192344 644418027 /nfs/dbraw/zinc/41/80/27/644418027.db2.gz GSXCAYFDMUEBAX-UHFFFAOYSA-N 0 0 240.144 3.461 10 0 BGAERN Cc1cc(N)ncc1-c1ccc(F)cc1C ZINC000084192962 355313527 /nfs/dbraw/zinc/31/35/27/355313527.db2.gz UMCDQRVSSLDQCG-UHFFFAOYSA-N 0 0 216.259 3.087 10 0 BGAERN COC(=O)c1cc(C2CCCCC2)sc1N ZINC000084193733 384846291 /nfs/dbraw/zinc/84/62/91/384846291.db2.gz SVUCTYASPQFMPN-UHFFFAOYSA-N 0 0 239.340 3.165 10 0 BGAERN COc1ccc(-c2cc(Cl)on2)cc1OC ZINC000084193973 175031657 /nfs/dbraw/zinc/03/16/57/175031657.db2.gz BPRRXVXZVUGGKO-UHFFFAOYSA-N 0 0 239.658 3.012 10 0 BGAERN CCOC(=O)c1nc2ccc(Cl)cc2s1 ZINC000084199036 170308053 /nfs/dbraw/zinc/30/80/53/170308053.db2.gz QXYFDPKYDGYTLA-UHFFFAOYSA-N 0 0 241.699 3.126 10 0 BGAERN O=c1cc(-c2ccccc2)[nH]c2ccsc21 ZINC000084199473 384846923 /nfs/dbraw/zinc/84/69/23/384846923.db2.gz SNXVUHXTCOLMPS-UHFFFAOYSA-N 0 0 227.288 3.257 10 0 BGAERN Brc1cccc2[nH]c3c(c21)CCC3 ZINC000084233755 368336740 /nfs/dbraw/zinc/33/67/40/368336740.db2.gz AMDPXODFIBNXFR-UHFFFAOYSA-N 0 0 236.112 3.419 10 0 BGAERN Brc1cccc2c(C3CC3)noc21 ZINC000084235771 166101542 /nfs/dbraw/zinc/10/15/42/166101542.db2.gz MEPCXRGCJKGLRB-UHFFFAOYSA-N 0 0 238.084 3.468 10 0 BGAERN Brc1cccc2sncc21 ZINC000084235775 344367344 /nfs/dbraw/zinc/36/73/44/344367344.db2.gz ZBHVWOBQFIJNOC-UHFFFAOYSA-N 0 0 214.087 3.059 10 0 BGAERN O=Cc1cc(Br)ccc1C1CC1 ZINC000084238495 538529085 /nfs/dbraw/zinc/52/90/85/538529085.db2.gz UDSWAYPTOVOUAU-UHFFFAOYSA-N 0 0 225.085 3.139 10 0 BGAERN Fc1ccc2occc2c1Br ZINC000084306209 386785350 /nfs/dbraw/zinc/78/53/50/386785350.db2.gz BPTQDIYJVPPMKF-UHFFFAOYSA-N 0 0 215.021 3.334 10 0 BGAERN CSc1c(C)[nH]c2ccc(Cl)nc21 ZINC000084309416 384858563 /nfs/dbraw/zinc/85/85/63/384858563.db2.gz YPHFBGXZMFWFAD-UHFFFAOYSA-N 0 0 212.705 3.247 10 0 BGAERN COc1ccc(Br)c2ccoc21 ZINC000084326632 352554460 /nfs/dbraw/zinc/55/44/60/352554460.db2.gz TXCXPIXLGOKOTF-UHFFFAOYSA-N 0 0 227.057 3.204 10 0 BGAERN CC1CCC(CNc2cccnc2)CC1 ZINC000084330817 135210998 /nfs/dbraw/zinc/21/09/98/135210998.db2.gz GHNVHDVMXWWFNY-UHFFFAOYSA-N 0 0 204.317 3.320 10 0 BGAERN Nc1ccc2cc(C3CCCC3)cn2c1 ZINC000084364408 644422991 /nfs/dbraw/zinc/42/29/91/644422991.db2.gz MLDKMRURADVPOM-UHFFFAOYSA-N 0 0 200.285 3.179 10 0 BGAERN Cc1cc(C)cc(C2(CO)CCCC2)c1 ZINC000084368087 387154693 /nfs/dbraw/zinc/15/46/93/387154693.db2.gz IWBKOXWPJYRRFE-UHFFFAOYSA-N 0 0 204.313 3.108 10 0 BGAERN OCC1(c2cccc(Cl)c2)CCCC1 ZINC000084391625 387154061 /nfs/dbraw/zinc/15/40/61/387154061.db2.gz UOWZIXBPWNTSMI-UHFFFAOYSA-N 0 0 210.704 3.144 10 0 BGAERN OCC1(c2ccccc2Cl)CCCC1 ZINC000084391627 323940908 /nfs/dbraw/zinc/94/09/08/323940908.db2.gz UCLOKCOCKQVLLD-UHFFFAOYSA-N 0 0 210.704 3.144 10 0 BGAERN CC(C)OC(=O)[C@H]1C[C@]2(C)CC[C@H]1C2(C)C ZINC000084400759 167169626 /nfs/dbraw/zinc/16/96/26/167169626.db2.gz DMAIZVXCRSEWGZ-WDMOLILDSA-N 0 0 224.344 3.400 10 0 BGAERN FC(F)c1nc2cc(Br)ccc2[nH]1 ZINC000084437513 384866106 /nfs/dbraw/zinc/86/61/06/384866106.db2.gz DNVWMFVLIONESY-UHFFFAOYSA-N 0 0 247.042 3.263 10 0 BGAERN Brc1ccccc1NC1CC1 ZINC000084477640 355374982 /nfs/dbraw/zinc/37/49/82/355374982.db2.gz RRVKDYWVIQRHMB-UHFFFAOYSA-N 0 0 212.090 3.023 10 0 BGAERN Fc1cccnc1N[C@H]1CCc2ccccc21 ZINC000084483164 344193610 /nfs/dbraw/zinc/19/36/10/344193610.db2.gz BMNDHXDZJKWPFZ-ZDUSSCGKSA-N 0 0 228.270 3.320 10 0 BGAERN Fc1cccnc1N[C@@H]1CCc2ccccc21 ZINC000084483166 345514224 /nfs/dbraw/zinc/51/42/24/345514224.db2.gz BMNDHXDZJKWPFZ-CYBMUJFWSA-N 0 0 228.270 3.320 10 0 BGAERN Cc1nc([C@@H](C)Nc2ncccc2F)cs1 ZINC000084486271 343531838 /nfs/dbraw/zinc/53/18/38/343531838.db2.gz VZELZWPIROKJEA-SSDOTTSWSA-N 0 0 237.303 3.159 10 0 BGAERN Cc1nc([C@H](C)Nc2ncccc2F)cs1 ZINC000084486273 345514999 /nfs/dbraw/zinc/51/49/99/345514999.db2.gz VZELZWPIROKJEA-ZETCQYMHSA-N 0 0 237.303 3.159 10 0 BGAERN CC(C)([NH3+])c1csc(-c2ccccc2)n1 ZINC000084486901 384874412 /nfs/dbraw/zinc/87/44/12/384874412.db2.gz NSYPSGDEJDWNRS-UHFFFAOYSA-N 0 0 218.325 3.004 10 0 BGAERN C[C@@H](CNc1ncccc1F)c1cccs1 ZINC000084487243 345514800 /nfs/dbraw/zinc/51/48/00/345514800.db2.gz OIFMQAYYQYOVJG-VIFPVBQESA-N 0 0 236.315 3.498 10 0 BGAERN C[C@H](CNc1ncccc1F)c1cccs1 ZINC000084487244 345514990 /nfs/dbraw/zinc/51/49/90/345514990.db2.gz OIFMQAYYQYOVJG-SECBINFHSA-N 0 0 236.315 3.498 10 0 BGAERN CCS[C@@H]1CC[C@H](Nc2ncccc2F)C1 ZINC000084488232 135472651 /nfs/dbraw/zinc/47/26/51/135472651.db2.gz PVKCYLHUQIDDCD-VHSXEESVSA-N 0 0 240.347 3.307 10 0 BGAERN CCS[C@H]1CC[C@H](Nc2ncccc2F)C1 ZINC000084488235 388079086 /nfs/dbraw/zinc/07/90/86/388079086.db2.gz PVKCYLHUQIDDCD-UWVGGRQHSA-N 0 0 240.347 3.307 10 0 BGAERN CCS[C@@H]1CC[C@@H](Nc2ncccc2F)C1 ZINC000084488236 388079413 /nfs/dbraw/zinc/07/94/13/388079413.db2.gz PVKCYLHUQIDDCD-NXEZZACHSA-N 0 0 240.347 3.307 10 0 BGAERN CCS[C@H]1CC[C@@H](Nc2ncccc2F)C1 ZINC000084488237 135472765 /nfs/dbraw/zinc/47/27/65/135472765.db2.gz PVKCYLHUQIDDCD-ZJUUUORDSA-N 0 0 240.347 3.307 10 0 BGAERN C[C@@H](CNc1ncccc1F)c1ccsc1 ZINC000084488351 343532413 /nfs/dbraw/zinc/53/24/13/343532413.db2.gz MTCZRDAHAGEELC-VIFPVBQESA-N 0 0 236.315 3.498 10 0 BGAERN C[C@H](CNc1ncccc1F)c1ccsc1 ZINC000084488354 343532549 /nfs/dbraw/zinc/53/25/49/343532549.db2.gz MTCZRDAHAGEELC-SECBINFHSA-N 0 0 236.315 3.498 10 0 BGAERN CCC1(CNc2ccc(SC)nn2)CCC1 ZINC000084489405 345515325 /nfs/dbraw/zinc/51/53/25/345515325.db2.gz BBWHAJFSIOQVFO-UHFFFAOYSA-N 0 0 237.372 3.191 10 0 BGAERN COc1ccc(-c2ccnc(Cl)c2)cc1 ZINC000084492070 175035920 /nfs/dbraw/zinc/03/59/20/175035920.db2.gz RGQMNDGQFLNLEA-UHFFFAOYSA-N 0 0 219.671 3.411 10 0 BGAERN Clc1ccnc2cc(-c3ccccc3)nn21 ZINC000084509231 384877158 /nfs/dbraw/zinc/87/71/58/384877158.db2.gz UMBKLZMBPAYZDV-UHFFFAOYSA-N 0 0 229.670 3.050 10 0 BGAERN Cn1cc(Br)c(C2CCCCC2)n1 ZINC000084551580 344441240 /nfs/dbraw/zinc/44/12/40/344441240.db2.gz NHIXUGBGFXYDSW-UHFFFAOYSA-N 0 0 243.148 3.230 10 0 BGAERN COc1cc2[nH]c3ccccc3c2cc1O ZINC000084671452 175018849 /nfs/dbraw/zinc/01/88/49/175018849.db2.gz KDLDZUFUKYBJCQ-UHFFFAOYSA-N 0 0 213.236 3.035 10 0 BGAERN CC(C)c1cc([C@H](O)C(F)(F)F)ccc1O ZINC000084689810 388588298 /nfs/dbraw/zinc/58/82/98/388588298.db2.gz UVTLKMSIFPENPV-JTQLQIEISA-N 0 0 234.217 3.111 10 0 BGAERN CC(C)c1cc([C@@H](O)C(F)(F)F)ccc1O ZINC000084689811 167578557 /nfs/dbraw/zinc/57/85/57/167578557.db2.gz UVTLKMSIFPENPV-SNVBAGLBSA-N 0 0 234.217 3.111 10 0 BGAERN C[C@@H]1CCC(Nc2ccccc2Cl)=N1 ZINC000084707277 176061741 /nfs/dbraw/zinc/06/17/41/176061741.db2.gz HPOVQRXZQJTUKW-MRVPVSSYSA-N 0 0 208.692 3.333 10 0 BGAERN C[C@H]1CCC(Nc2ccccc2Cl)=N1 ZINC000084707280 177069399 /nfs/dbraw/zinc/06/93/99/177069399.db2.gz HPOVQRXZQJTUKW-QMMMGPOBSA-N 0 0 208.692 3.333 10 0 BGAERN CCC[C@H](O)c1ccc(Br)cc1F ZINC000084739388 344197069 /nfs/dbraw/zinc/19/70/69/344197069.db2.gz BAHMFZNYNOCSJP-JTQLQIEISA-N 0 0 247.107 3.422 10 0 BGAERN CCC[C@@H](O)c1ccc(Br)cc1F ZINC000084739389 355808129 /nfs/dbraw/zinc/80/81/29/355808129.db2.gz BAHMFZNYNOCSJP-SNVBAGLBSA-N 0 0 247.107 3.422 10 0 BGAERN CC(C)(C)c1ccc2occc(=O)c2c1 ZINC000084770332 187434632 /nfs/dbraw/zinc/43/46/32/187434632.db2.gz AEWCNPOKYFDMMA-UHFFFAOYSA-N 0 0 202.253 3.091 10 0 BGAERN CC1(C)CNc2cccc(Br)c2O1 ZINC000084789048 631451872 /nfs/dbraw/zinc/45/18/72/631451872.db2.gz LQSGLQSQTGNHEM-UHFFFAOYSA-N 0 0 242.116 3.032 10 0 BGAERN CCn1ccnc1CSc1cccc(F)c1 ZINC000084841375 387464117 /nfs/dbraw/zinc/46/41/17/387464117.db2.gz DPXWAAUGASHCOV-UHFFFAOYSA-N 0 0 236.315 3.334 10 0 BGAERN Cc1ccccc1S[C@@H]1CCC(=O)[C@@H]1C ZINC000084869965 538535905 /nfs/dbraw/zinc/53/59/05/538535905.db2.gz APBHENOGNCTQKG-GXFFZTMASA-N 0 0 220.337 3.455 10 0 BGAERN Cc1ccccc1S[C@H]1CCC(=O)[C@@H]1C ZINC000084869966 538536284 /nfs/dbraw/zinc/53/62/84/538536284.db2.gz APBHENOGNCTQKG-GWCFXTLKSA-N 0 0 220.337 3.455 10 0 BGAERN Cc1ccccc1S[C@@H]1CCC(=O)[C@H]1C ZINC000084869967 538536170 /nfs/dbraw/zinc/53/61/70/538536170.db2.gz APBHENOGNCTQKG-ZWNOBZJWSA-N 0 0 220.337 3.455 10 0 BGAERN Cc1ccccc1S[C@H]1CCC(=O)[C@H]1C ZINC000084869968 538536439 /nfs/dbraw/zinc/53/64/39/538536439.db2.gz APBHENOGNCTQKG-MFKMUULPSA-N 0 0 220.337 3.455 10 0 BGAERN C[C@@H]1CCCCN1c1ccc2c(c1)CCCN2 ZINC000084896012 384905457 /nfs/dbraw/zinc/90/54/57/384905457.db2.gz YNIWAAMOJYLGPB-GFCCVEGCSA-N 0 0 230.355 3.424 10 0 BGAERN C[C@H]1CCCCN1c1ccc2c(c1)CCCN2 ZINC000084896014 384904893 /nfs/dbraw/zinc/90/48/93/384904893.db2.gz YNIWAAMOJYLGPB-LBPRGKRZSA-N 0 0 230.355 3.424 10 0 BGAERN CCc1ccc([C@@]2(O)CCC[C@H]2C)cc1 ZINC000084902308 259451987 /nfs/dbraw/zinc/45/19/87/259451987.db2.gz DYHHRDIKBIQHQT-BXUZGUMPSA-N 0 0 204.313 3.257 10 0 BGAERN CC(C)(C)Oc1ccc([C@H](O)C(F)(F)F)cc1 ZINC000084933507 355880337 /nfs/dbraw/zinc/88/03/37/355880337.db2.gz WTKRIGXQMCGRAP-JTQLQIEISA-N 0 0 248.244 3.460 10 0 BGAERN CC(C)(C)Oc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000084933508 355880342 /nfs/dbraw/zinc/88/03/42/355880342.db2.gz WTKRIGXQMCGRAP-SNVBAGLBSA-N 0 0 248.244 3.460 10 0 BGAERN COc1cccc(-c2ccc(C=O)cc2)c1F ZINC000084934646 175234168 /nfs/dbraw/zinc/23/41/68/175234168.db2.gz MUSXZGPUFBYWPG-UHFFFAOYSA-N 0 0 230.238 3.314 10 0 BGAERN COc1ccc(F)c(-c2ccc(C=O)cc2)c1 ZINC000084934651 344200422 /nfs/dbraw/zinc/20/04/22/344200422.db2.gz FPFUGPWVTWBLCQ-UHFFFAOYSA-N 0 0 230.238 3.314 10 0 BGAERN COc1cccc(-c2cccc(C=O)c2)c1F ZINC000084934653 175235209 /nfs/dbraw/zinc/23/52/09/175235209.db2.gz WGEAVLHVMHYDEA-UHFFFAOYSA-N 0 0 230.238 3.314 10 0 BGAERN Cc1cc(Cl)n(-c2ccc(Cl)cc2)n1 ZINC000085018471 178071087 /nfs/dbraw/zinc/07/10/87/178071087.db2.gz JDSKEOORFFVKSA-UHFFFAOYSA-N 0 0 227.094 3.488 10 0 BGAERN Cc1cc(Cl)n(-c2ccc(C)cc2)n1 ZINC000085018770 178348156 /nfs/dbraw/zinc/34/81/56/178348156.db2.gz ZRGQBIQPLBQTJF-UHFFFAOYSA-N 0 0 206.676 3.143 10 0 BGAERN OCC1(CCCc2ccccc2)CCC1 ZINC000085037205 344495841 /nfs/dbraw/zinc/49/58/41/344495841.db2.gz 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/nfs/dbraw/zinc/92/53/73/322925373.db2.gz HBJWJYQDZPVMHE-LBPRGKRZSA-N 0 0 224.369 3.494 10 0 BGAERN Cc1ccccc1SC[C@@H](O)C(C)(C)C ZINC000085111578 387473602 /nfs/dbraw/zinc/47/36/02/387473602.db2.gz HBJWJYQDZPVMHE-GFCCVEGCSA-N 0 0 224.369 3.494 10 0 BGAERN Nc1cc(-c2cccc3ccccc32)on1 ZINC000085278407 344204522 /nfs/dbraw/zinc/20/45/22/344204522.db2.gz KDPNMQWRCLOGAT-UHFFFAOYSA-N 0 0 210.236 3.077 10 0 BGAERN Cc1cc(NC(=O)C2CC(C)C2)cnc1Cl ZINC000085312826 641373369 /nfs/dbraw/zinc/37/33/69/641373369.db2.gz UJLIMLXXXSURPH-UHFFFAOYSA-N 0 0 238.718 3.028 10 0 BGAERN OCc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000085316399 344520741 /nfs/dbraw/zinc/52/07/41/344520741.db2.gz DIHDACRDQBEVLI-UHFFFAOYSA-N 0 0 235.670 3.020 10 0 BGAERN CCOC(=O)c1ccccc1-c1cccc(N)c1 ZINC000085344549 170299045 /nfs/dbraw/zinc/29/90/45/170299045.db2.gz RDHBVGXFNNWRFS-UHFFFAOYSA-N 0 0 241.290 3.113 10 0 BGAERN O=C1N=Cc2cccc(-c3ccc(F)cc3)c21 ZINC000085345488 182790627 /nfs/dbraw/zinc/79/06/27/182790627.db2.gz 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Cc1cnc2ncc3ccsc3c2c1 ZINC000085385016 644441203 /nfs/dbraw/zinc/44/12/03/644441203.db2.gz IVJJXSYCORFMRV-UHFFFAOYSA-N 0 0 200.266 3.153 10 0 BGAERN Nc1ccccc1C(=O)Cc1ccccc1Cl ZINC000085434286 181752837 /nfs/dbraw/zinc/75/28/37/181752837.db2.gz WCFJAYZDGNQLFG-UHFFFAOYSA-N 0 0 245.709 3.348 10 0 BGAERN Cc1nc(C(C)C)nc(Cl)c1Br ZINC000085450560 538541228 /nfs/dbraw/zinc/54/12/28/538541228.db2.gz QQCTYEFLRQLIKI-UHFFFAOYSA-N 0 0 249.539 3.324 10 0 BGAERN Cc1nc(C2CC2)nc(Cl)c1Br ZINC000085450698 356457519 /nfs/dbraw/zinc/45/75/19/356457519.db2.gz JKWNULKFDXPCMP-UHFFFAOYSA-N 0 0 247.523 3.078 10 0 BGAERN Cc1csc(-c2ccc(C=O)c(O)c2)c1 ZINC000085476739 179760251 /nfs/dbraw/zinc/76/02/51/179760251.db2.gz NWCKVAXKWXKCEH-UHFFFAOYSA-N 0 0 218.277 3.242 10 0 BGAERN FC(F)(F)CNc1cc(C(F)(F)F)ccn1 ZINC000085486133 344206339 /nfs/dbraw/zinc/20/63/39/344206339.db2.gz JRGHKAKITMIKQK-UHFFFAOYSA-N 0 0 244.138 3.075 10 0 BGAERN C/C=C/C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000085500954 644442568 /nfs/dbraw/zinc/44/25/68/644442568.db2.gz GTGQJXQDPLVRAL-SDLBARTOSA-N 0 0 229.732 3.155 10 0 BGAERN C/C=C/C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000085500955 644443625 /nfs/dbraw/zinc/44/36/25/644443625.db2.gz GTGQJXQDPLVRAL-KGGZQZJCSA-N 0 0 229.732 3.155 10 0 BGAERN O=C1N[C@H]2CCCCCCCCCC[C@@H]12 ZINC000085526838 644442862 /nfs/dbraw/zinc/44/28/62/644442862.db2.gz QZGCOFZRRZPWHB-NEPJUHHUSA-N 0 0 209.333 3.016 10 0 BGAERN O=C1N[C@@H]2CCCCCCCCCC[C@H]12 ZINC000085526843 643617291 /nfs/dbraw/zinc/61/72/91/643617291.db2.gz QZGCOFZRRZPWHB-NWDGAFQWSA-N 0 0 209.333 3.016 10 0 BGAERN CCCCCn1cc(C=O)c2cccnc21 ZINC000085607310 346870121 /nfs/dbraw/zinc/87/01/21/346870121.db2.gz HSNWIKLQFHDWME-UHFFFAOYSA-N 0 0 216.284 3.039 10 0 BGAERN CCn1cccc1CNc1ccccc1C ZINC000085608442 172210448 /nfs/dbraw/zinc/21/04/48/172210448.db2.gz XXWYXHZBCGWAOC-UHFFFAOYSA-N 0 0 214.312 3.429 10 0 BGAERN CCn1cccc1C[NH2+][C@H](C)c1cccs1 ZINC000085608505 172210015 /nfs/dbraw/zinc/21/00/15/172210015.db2.gz SBPUOBQPPDOUDL-LLVKDONJSA-N 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/nfs/dbraw/zinc/55/11/05/384551105.db2.gz YDKBHQJRXNPPOA-BPNCWPANSA-N 0 0 249.329 3.360 10 0 BGAERN Cc1ccc(F)c(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000085631141 178678206 /nfs/dbraw/zinc/67/82/06/178678206.db2.gz HPGFRRYJRACIBV-BPNCWPANSA-N 0 0 249.329 3.360 10 0 BGAERN CC(C)c1c(N)cnn1-c1cccc(Cl)c1 ZINC000085634383 384956877 /nfs/dbraw/zinc/95/68/77/384956877.db2.gz QJAYDNTXDHISRT-UHFFFAOYSA-N 0 0 235.718 3.231 10 0 BGAERN Cc1cc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1F ZINC000085638011 178192081 /nfs/dbraw/zinc/19/20/81/178192081.db2.gz RBRLDYNARKGDHL-UBHSHLNASA-N 0 0 249.329 3.360 10 0 BGAERN C[C@@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000085657485 384962092 /nfs/dbraw/zinc/96/20/92/384962092.db2.gz DARPFNFCRVPCRH-LURJTMIESA-N 0 0 205.084 3.089 10 0 BGAERN C[C@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000085657487 384962261 /nfs/dbraw/zinc/96/22/61/384962261.db2.gz DARPFNFCRVPCRH-ZCFIWIBFSA-N 0 0 205.084 3.089 10 0 BGAERN CC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000085662287 188317908 /nfs/dbraw/zinc/31/79/08/188317908.db2.gz LFXFMUOTLBQCAU-SSDOTTSWSA-N 0 0 227.101 3.142 10 0 BGAERN CC(=O)[C@H](C)c1cccc(Br)c1 ZINC000085662290 384960908 /nfs/dbraw/zinc/96/09/08/384960908.db2.gz LFXFMUOTLBQCAU-ZETCQYMHSA-N 0 0 227.101 3.142 10 0 BGAERN CC(=O)C1c2ccccc2-c2ccccc21 ZINC000085662418 188298709 /nfs/dbraw/zinc/29/87/09/188298709.db2.gz HTKCBQHKADUMRK-UHFFFAOYSA-N 0 0 208.260 3.388 10 0 BGAERN CC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000085662445 344207678 /nfs/dbraw/zinc/20/76/78/344207678.db2.gz LJVNHGDHWDQBTR-ZETCQYMHSA-N 0 0 227.101 3.142 10 0 BGAERN OCc1cccc(-c2cccc3ncccc32)c1 ZINC000085664538 183167250 /nfs/dbraw/zinc/16/72/50/183167250.db2.gz VNAQKMBHNBECHH-UHFFFAOYSA-N 0 0 235.286 3.394 10 0 BGAERN C[C@H](Nc1nccc(C(F)(F)F)n1)C(C)(C)C ZINC000085705465 388095620 /nfs/dbraw/zinc/09/56/20/388095620.db2.gz VSFLFKCAGFLQNS-ZETCQYMHSA-N 0 0 247.264 3.342 10 0 BGAERN Fc1ccccc1SCCC1OCCCO1 ZINC000085706283 187434989 /nfs/dbraw/zinc/43/49/89/187434989.db2.gz AEDVJPOSHLFPGY-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/22/86/13/180228613.db2.gz JRIVFRUVKYLYIN-SECBINFHSA-N 0 0 219.313 3.020 10 0 BGAERN Cc1ncccc1NCCc1ccccc1 ZINC000085711618 631463015 /nfs/dbraw/zinc/46/30/15/631463015.db2.gz IIWXPKNGCPYKMA-UHFFFAOYSA-N 0 0 212.296 3.045 10 0 BGAERN Cc1ncccc1N[C@@H](C)c1ccco1 ZINC000085726757 180226186 /nfs/dbraw/zinc/22/61/86/180226186.db2.gz QUKFIAVLSJJBTP-JTQLQIEISA-N 0 0 202.257 3.156 10 0 BGAERN Cc1ncccc1N[C@H](C)c1ccco1 ZINC000085726760 180228500 /nfs/dbraw/zinc/22/85/00/180228500.db2.gz QUKFIAVLSJJBTP-SNVBAGLBSA-N 0 0 202.257 3.156 10 0 BGAERN Cc1cc(F)cc(NCC(F)(F)F)c1 ZINC000085730889 538546054 /nfs/dbraw/zinc/54/60/54/538546054.db2.gz SXORDWCNOFBKRD-UHFFFAOYSA-N 0 0 207.170 3.108 10 0 BGAERN Cc1cnc(Cl)nc1OCc1ccccc1 ZINC000085786318 344209294 /nfs/dbraw/zinc/20/92/94/344209294.db2.gz ARVKTISTUPUBEU-UHFFFAOYSA-N 0 0 234.686 3.017 10 0 BGAERN Fc1ccc(-c2nc(Cl)ncc2F)cc1 ZINC000085788899 347445273 /nfs/dbraw/zinc/44/52/73/347445273.db2.gz ZHYRICQPUPMTEZ-UHFFFAOYSA-N 0 0 226.613 3.075 10 0 BGAERN Cc1cnc(Cl)nc1-c1ccc(F)cc1 ZINC000085788901 347445319 /nfs/dbraw/zinc/44/53/19/347445319.db2.gz DOWRRMVPUIWKKH-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN Cc1cnc(Cl)nc1-c1ccccc1F ZINC000085789069 384967844 /nfs/dbraw/zinc/96/78/44/384967844.db2.gz STUXSHPRCVCWBQ-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN Fc1ccc(F)c(-c2nc(Cl)ncc2F)c1 ZINC000085789111 343606225 /nfs/dbraw/zinc/60/62/25/343606225.db2.gz BEIHRYKXKLZDJL-UHFFFAOYSA-N 0 0 244.603 3.214 10 0 BGAERN Cc1cnc(Cl)nc1-c1c(F)cccc1F ZINC000085789276 384967612 /nfs/dbraw/zinc/96/76/12/384967612.db2.gz FLLKRHDRCAUGQL-UHFFFAOYSA-N 0 0 240.640 3.384 10 0 BGAERN Cc1ccc(-c2ccnc(Cl)n2)s1 ZINC000085789327 178327777 /nfs/dbraw/zinc/32/77/77/178327777.db2.gz DQWNGRBIRWWGHM-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN Nc1ccc(Cl)c(SCC2CC2)c1 ZINC000085929012 259366233 /nfs/dbraw/zinc/36/62/33/259366233.db2.gz VJYPOUGLYALDMI-UHFFFAOYSA-N 0 0 213.733 3.424 10 0 BGAERN Cc1ccc(N)cc1SCC(F)(F)F ZINC000085935341 357922036 /nfs/dbraw/zinc/92/20/36/357922036.db2.gz VBZNOLZXPVAZJM-UHFFFAOYSA-N 0 0 221.247 3.232 10 0 BGAERN Cc1ccc2oc(C(=O)C(C)(C)C)cc2n1 ZINC000085975048 538549604 /nfs/dbraw/zinc/54/96/04/538549604.db2.gz FQUADVYHZUJBFX-UHFFFAOYSA-N 0 0 217.268 3.365 10 0 BGAERN CC(=O)c1cccc(-n2cc(Cl)c(C)n2)c1 ZINC000085976312 644454996 /nfs/dbraw/zinc/45/49/96/644454996.db2.gz DCUAFSOHTSGTAT-UHFFFAOYSA-N 0 0 234.686 3.037 10 0 BGAERN C[C@H](O)c1cccc(OC/C(Cl)=C/Cl)c1 ZINC000086000396 643626940 /nfs/dbraw/zinc/62/69/40/643626940.db2.gz CKURGWCPSYRMIU-KZSPTFSBSA-N 0 0 247.121 3.438 10 0 BGAERN C[C@@H](O)c1cccc(OC/C(Cl)=C/Cl)c1 ZINC000086000398 644454306 /nfs/dbraw/zinc/45/43/06/644454306.db2.gz CKURGWCPSYRMIU-NDVARNPJSA-N 0 0 247.121 3.438 10 0 BGAERN CCC(CC)n1c2ccncc2[nH]c1=S ZINC000086159676 538551280 /nfs/dbraw/zinc/55/12/80/538551280.db2.gz CKWKSTANKIGUQH-UHFFFAOYSA-N 0 0 221.329 3.455 10 0 BGAERN CC(C)C(=O)CSCc1ccccc1 ZINC000086277341 538554003 /nfs/dbraw/zinc/55/40/03/538554003.db2.gz BYAAXOJJDIHLID-UHFFFAOYSA-N 0 0 208.326 3.145 10 0 BGAERN Cc1ccccc1CSCC(=O)C(C)C ZINC000086277365 538553348 /nfs/dbraw/zinc/55/33/48/538553348.db2.gz JKFLCSPCOWAMKK-UHFFFAOYSA-N 0 0 222.353 3.453 10 0 BGAERN Cc1cccc(CSCC(=O)C(C)C)c1 ZINC000086277366 538553555 /nfs/dbraw/zinc/55/35/55/538553555.db2.gz GNZGYDZUSCKYOD-UHFFFAOYSA-N 0 0 222.353 3.453 10 0 BGAERN CCCc1c(N)n[nH]c1-c1ccc(Cl)s1 ZINC000086314566 643986179 /nfs/dbraw/zinc/98/61/79/643986179.db2.gz YPTNOIAPHHJPME-UHFFFAOYSA-N 0 0 241.747 3.326 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)N(C)C(C)C ZINC000086338395 179335319 /nfs/dbraw/zinc/33/53/19/179335319.db2.gz BYVKYSZPQQXYGG-LBPRGKRZSA-N 0 0 234.343 3.106 10 0 BGAERN CC(C)[C@@H](C)NC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000086339361 387520907 /nfs/dbraw/zinc/52/09/07/387520907.db2.gz GOWIDBXLURNWMY-NEPJUHHUSA-N 0 0 240.391 3.249 10 0 BGAERN CC(C)[C@H](C)NC(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000086339362 387520997 /nfs/dbraw/zinc/52/09/97/387520997.db2.gz GOWIDBXLURNWMY-RYUDHWBXSA-N 0 0 240.391 3.249 10 0 BGAERN CC(C)[C@@H](C)NC(=O)N([C@H](C)C(C)C)C1CC1 ZINC000086339365 387520611 /nfs/dbraw/zinc/52/06/11/387520611.db2.gz GOWIDBXLURNWMY-VXGBXAGGSA-N 0 0 240.391 3.249 10 0 BGAERN CC(C)[C@@H](C)N(C(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000086339367 385011602 /nfs/dbraw/zinc/01/16/02/385011602.db2.gz GOWIDBXLURNWMY-NWDGAFQWSA-N 0 0 240.391 3.249 10 0 BGAERN CCc1ccc([C@@H](C)NC(=O)N(C)C(C)C)cc1 ZINC000086340256 385010191 /nfs/dbraw/zinc/01/01/91/385010191.db2.gz FVELAPRZTBADKI-GFCCVEGCSA-N 0 0 248.370 3.360 10 0 BGAERN CCc1ccc([C@H](C)NC(=O)N(C)C(C)C)cc1 ZINC000086340259 385009584 /nfs/dbraw/zinc/00/95/84/385009584.db2.gz FVELAPRZTBADKI-LBPRGKRZSA-N 0 0 248.370 3.360 10 0 BGAERN CCC1CCC(NC(=O)N(C)C(C)C)CC1 ZINC000086369207 387522611 /nfs/dbraw/zinc/52/26/11/387522611.db2.gz BMHWGPJAKQMJQR-UHFFFAOYSA-N 0 0 226.364 3.005 10 0 BGAERN c1ccc(CCCNOCc2ccccc2)cc1 ZINC000086436412 368881447 /nfs/dbraw/zinc/88/14/47/368881447.db2.gz DUXVFDAFQFOFAQ-UHFFFAOYSA-N 0 0 241.334 3.341 10 0 BGAERN O=C1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000086438250 385016233 /nfs/dbraw/zinc/01/62/33/385016233.db2.gz OYDMCNABPJCYGU-UHFFFAOYSA-N 0 0 247.294 3.468 10 0 BGAERN Cc1cc(F)cc([C@@H]2CCCCC2=O)c1 ZINC000086693777 644163134 /nfs/dbraw/zinc/16/31/34/644163134.db2.gz SFWSZSAYAGEYOC-LBPRGKRZSA-N 0 0 206.260 3.361 10 0 BGAERN Cc1cc(F)cc([C@H]2CCCCC2=O)c1 ZINC000086693778 644164736 /nfs/dbraw/zinc/16/47/36/644164736.db2.gz SFWSZSAYAGEYOC-GFCCVEGCSA-N 0 0 206.260 3.361 10 0 BGAERN CC(C)[C@@H](C)Nc1ncc(Cl)cc1F ZINC000086710211 388106633 /nfs/dbraw/zinc/10/66/33/388106633.db2.gz UONBPNHMEPRJGP-SSDOTTSWSA-N 0 0 216.687 3.331 10 0 BGAERN CC(C)[C@H](C)Nc1ncc(Cl)cc1F ZINC000086710214 534972759 /nfs/dbraw/zinc/97/27/59/534972759.db2.gz UONBPNHMEPRJGP-ZETCQYMHSA-N 0 0 216.687 3.331 10 0 BGAERN Cc1cc(-c2cnc(N)cc2C)cs1 ZINC000086716481 487535548 /nfs/dbraw/zinc/53/55/48/487535548.db2.gz ANNODMIJELBERE-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1ccc(-c2cnc(N)cc2C)s1 ZINC000086716486 487535457 /nfs/dbraw/zinc/53/54/57/487535457.db2.gz URCHFSDEBCKFDF-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CCC[C@H]([NH2+]C1CCC(CCC)CC1)C(=O)[O-] ZINC000086732703 135495779 /nfs/dbraw/zinc/49/57/79/135495779.db2.gz PWDFRKBHAZTPIP-BPCQOVAHSA-N 0 0 241.375 3.188 10 0 BGAERN CCC[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000086733423 644170240 /nfs/dbraw/zinc/17/02/40/644170240.db2.gz CAFWTGATHDKOHY-TUAOUCFPSA-N 0 0 241.375 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000086733427 644170318 /nfs/dbraw/zinc/17/03/18/644170318.db2.gz CAFWTGATHDKOHY-SRVKXCTJSA-N 0 0 241.375 3.044 10 0 BGAERN CCC[C@H]([NH2+]CC[C@@H](C)c1ccccc1)C(=O)[O-] ZINC000086733452 535705347 /nfs/dbraw/zinc/70/53/47/535705347.db2.gz XCLRKVAAPXTMHG-OCCSQVGLSA-N 0 0 249.354 3.023 10 0 BGAERN CCC[C@H]([NH2+]CC[C@H](C)c1ccccc1)C(=O)[O-] ZINC000086733455 644170526 /nfs/dbraw/zinc/17/05/26/644170526.db2.gz XCLRKVAAPXTMHG-JSGCOSHPSA-N 0 0 249.354 3.023 10 0 BGAERN CCC[C@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)[O-] ZINC000086733906 644173251 /nfs/dbraw/zinc/17/32/51/644173251.db2.gz HFXPANDNMDDBPQ-BPCQOVAHSA-N 0 0 241.375 3.044 10 0 BGAERN C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000086775329 176020536 /nfs/dbraw/zinc/02/05/36/176020536.db2.gz VTZDDHOWWQHNTA-GXTWGEPZSA-N 0 0 247.338 3.077 10 0 BGAERN C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000086775330 177038848 /nfs/dbraw/zinc/03/88/48/177038848.db2.gz VTZDDHOWWQHNTA-TZMCWYRMSA-N 0 0 247.338 3.077 10 0 BGAERN CC1(C)CCCC[C@]1(O)c1ccccc1 ZINC000086849010 259452851 /nfs/dbraw/zinc/45/28/51/259452851.db2.gz UCGFWXQFQGHYSG-AWEZNQCLSA-N 0 0 204.313 3.474 10 0 BGAERN CC1(C)CCCC[C@@]1(O)c1ccccc1 ZINC000086849011 386965852 /nfs/dbraw/zinc/96/58/52/386965852.db2.gz UCGFWXQFQGHYSG-CQSZACIVSA-N 0 0 204.313 3.474 10 0 BGAERN CC1(C)CCCc2c(Cl)nc(Cl)nc21 ZINC000086849280 135497502 /nfs/dbraw/zinc/49/75/02/135497502.db2.gz PCBRUJALJWOQSU-UHFFFAOYSA-N 0 0 231.126 3.397 10 0 BGAERN CC(C)Nc1nc2c(s1)CCC2(C)C ZINC000086855802 135098755 /nfs/dbraw/zinc/09/87/55/135098755.db2.gz WFXMPKHULNXXCA-UHFFFAOYSA-N 0 0 210.346 3.187 10 0 BGAERN c1ccc(Cc2cc3ccccc3nn2)cc1 ZINC000086860213 385053938 /nfs/dbraw/zinc/05/39/38/385053938.db2.gz VMWLDYFFUQQPGZ-UHFFFAOYSA-N 0 0 220.275 3.221 10 0 BGAERN Cc1c(F)c(F)c(F)c(F)c1Br ZINC000086862152 385055948 /nfs/dbraw/zinc/05/59/48/385055948.db2.gz XPQFIPQOSFSBOD-UHFFFAOYSA-N 0 0 242.997 3.314 10 0 BGAERN CSCCC1S[C@@H](C)[C@H](C)S1 ZINC000086863120 385054463 /nfs/dbraw/zinc/05/44/63/385054463.db2.gz HMABSLPAXSKGHV-BQBZGAKWSA-N 0 0 208.417 3.323 10 0 BGAERN CSCCC1S[C@H](C)[C@@H](C)S1 ZINC000086863122 385054070 /nfs/dbraw/zinc/05/40/70/385054070.db2.gz HMABSLPAXSKGHV-RNFRBKRXSA-N 0 0 208.417 3.323 10 0 BGAERN CC(C)CC(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000086908928 491065228 /nfs/dbraw/zinc/06/52/28/491065228.db2.gz RBCFQEOTCGWISN-GFCCVEGCSA-N 0 0 224.344 3.341 10 0 BGAERN CC(C)CC(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000086908931 491065137 /nfs/dbraw/zinc/06/51/37/491065137.db2.gz RBCFQEOTCGWISN-LBPRGKRZSA-N 0 0 224.344 3.341 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)C=C1CCC1 ZINC000087001297 179335335 /nfs/dbraw/zinc/33/53/35/179335335.db2.gz MFCAIJSXIDVCEA-LBPRGKRZSA-N 0 0 229.323 3.283 10 0 BGAERN O=C1CCC[C@H]1Sc1cccc(F)c1 ZINC000087112127 538563764 /nfs/dbraw/zinc/56/37/64/538563764.db2.gz LPTGKPNHSQTCID-LLVKDONJSA-N 0 0 210.273 3.039 10 0 BGAERN O=C1CCC[C@@H]1Sc1cccc(F)c1 ZINC000087112128 538563697 /nfs/dbraw/zinc/56/36/97/538563697.db2.gz LPTGKPNHSQTCID-NSHDSACASA-N 0 0 210.273 3.039 10 0 BGAERN C[C@H]1C(=O)CC[C@H]1Sc1cccc(F)c1 ZINC000087112130 538563992 /nfs/dbraw/zinc/56/39/92/538563992.db2.gz XWOUXGZLPRXSTQ-QPUJVOFHSA-N 0 0 224.300 3.285 10 0 BGAERN C[C@@H]1C(=O)CC[C@H]1Sc1cccc(F)c1 ZINC000087112131 538564148 /nfs/dbraw/zinc/56/41/48/538564148.db2.gz XWOUXGZLPRXSTQ-PRHODGIISA-N 0 0 224.300 3.285 10 0 BGAERN C[C@H]1C(=O)CC[C@@H]1Sc1cccc(F)c1 ZINC000087112132 538563629 /nfs/dbraw/zinc/56/36/29/538563629.db2.gz XWOUXGZLPRXSTQ-UFBFGSQYSA-N 0 0 224.300 3.285 10 0 BGAERN C[C@@H]1C(=O)CC[C@@H]1Sc1cccc(F)c1 ZINC000087112133 538563903 /nfs/dbraw/zinc/56/39/03/538563903.db2.gz XWOUXGZLPRXSTQ-PELKAZGASA-N 0 0 224.300 3.285 10 0 BGAERN O=C1CCCC[C@H]1Sc1cccc(F)c1 ZINC000087112134 538564277 /nfs/dbraw/zinc/56/42/77/538564277.db2.gz BLAHSDUHMKLCET-GFCCVEGCSA-N 0 0 224.300 3.430 10 0 BGAERN O=C1CCCC[C@@H]1Sc1cccc(F)c1 ZINC000087112135 538563936 /nfs/dbraw/zinc/56/39/36/538563936.db2.gz BLAHSDUHMKLCET-LBPRGKRZSA-N 0 0 224.300 3.430 10 0 BGAERN CC(=O)CCCSc1cccc(F)c1 ZINC000087112137 538564346 /nfs/dbraw/zinc/56/43/46/538564346.db2.gz SICUPONNSYZJML-UHFFFAOYSA-N 0 0 212.289 3.287 10 0 BGAERN CC(=O)C[C@H](C)Sc1cccc(F)c1 ZINC000087112138 538564002 /nfs/dbraw/zinc/56/40/02/538564002.db2.gz AVDDYYSQUTUABB-VIFPVBQESA-N 0 0 212.289 3.285 10 0 BGAERN CC(=O)C[C@@H](C)Sc1cccc(F)c1 ZINC000087112139 538563863 /nfs/dbraw/zinc/56/38/63/538563863.db2.gz AVDDYYSQUTUABB-SECBINFHSA-N 0 0 212.289 3.285 10 0 BGAERN O=C1CCC[C@@H](Sc2cccc(F)c2)C1 ZINC000087112143 538563775 /nfs/dbraw/zinc/56/37/75/538563775.db2.gz KKGLKJZFVCBBPO-GFCCVEGCSA-N 0 0 224.300 3.430 10 0 BGAERN O=C1CCC[C@H](Sc2cccc(F)c2)C1 ZINC000087112144 538563684 /nfs/dbraw/zinc/56/36/84/538563684.db2.gz KKGLKJZFVCBBPO-LBPRGKRZSA-N 0 0 224.300 3.430 10 0 BGAERN Fc1cccc(SCCC2OCCCO2)c1 ZINC000087112146 384739931 /nfs/dbraw/zinc/73/99/31/384739931.db2.gz LNSLLTKRYMBILV-UHFFFAOYSA-N 0 0 242.315 3.071 10 0 BGAERN CCC(=O)[C@@H](C)Sc1cccc(F)c1 ZINC000087112151 538563928 /nfs/dbraw/zinc/56/39/28/538563928.db2.gz GUWYUGZXULRBDZ-MRVPVSSYSA-N 0 0 212.289 3.285 10 0 BGAERN CCC(=O)[C@H](C)Sc1cccc(F)c1 ZINC000087112152 538564029 /nfs/dbraw/zinc/56/40/29/538564029.db2.gz GUWYUGZXULRBDZ-QMMMGPOBSA-N 0 0 212.289 3.285 10 0 BGAERN CC(=O)CCSc1cc2ccccc2[nH]1 ZINC000087115563 538564225 /nfs/dbraw/zinc/56/42/25/538564225.db2.gz KTGOURAVQPBRKP-UHFFFAOYSA-N 0 0 219.309 3.239 10 0 BGAERN CCC(=O)CSc1cc2ccccc2[nH]1 ZINC000087115574 538564241 /nfs/dbraw/zinc/56/42/41/538564241.db2.gz SJTYYXHMHLMKJC-UHFFFAOYSA-N 0 0 219.309 3.239 10 0 BGAERN CC(=O)[C@H](C)Sc1cc2ccccc2[nH]1 ZINC000087115591 538564300 /nfs/dbraw/zinc/56/43/00/538564300.db2.gz PCNDYFRRYZCEKA-VIFPVBQESA-N 0 0 219.309 3.238 10 0 BGAERN CC(=O)[C@@H](C)Sc1cc2ccccc2[nH]1 ZINC000087115592 538563895 /nfs/dbraw/zinc/56/38/95/538563895.db2.gz PCNDYFRRYZCEKA-SECBINFHSA-N 0 0 219.309 3.238 10 0 BGAERN C[C@@H](Oc1cc(Cl)ccc1Cl)[C@H](C)O ZINC000087138761 177005531 /nfs/dbraw/zinc/00/55/31/177005531.db2.gz FTDWOEDBAZGYEV-NKWVEPMBSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](O)[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000087138763 175992057 /nfs/dbraw/zinc/99/20/57/175992057.db2.gz FTDWOEDBAZGYEV-RNFRBKRXSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@H](O)[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000087138766 177012539 /nfs/dbraw/zinc/01/25/39/177012539.db2.gz FTDWOEDBAZGYEV-BQBZGAKWSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](O)[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000087138769 177022420 /nfs/dbraw/zinc/02/24/20/177022420.db2.gz FTDWOEDBAZGYEV-RQJHMYQMSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)O ZINC000087138867 177005465 /nfs/dbraw/zinc/00/54/65/177005465.db2.gz ZNAMEAATZOBSAD-NKWVEPMBSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@H](O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000087138872 177012265 /nfs/dbraw/zinc/01/22/65/177012265.db2.gz ZNAMEAATZOBSAD-BQBZGAKWSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000087138876 177022293 /nfs/dbraw/zinc/02/22/93/177022293.db2.gz ZNAMEAATZOBSAD-RQJHMYQMSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](Oc1cccc(Cl)c1Cl)[C@H](C)O ZINC000087138988 177005329 /nfs/dbraw/zinc/00/53/29/177005329.db2.gz CRUXEVYOEXPKOT-NKWVEPMBSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@H](O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000087138993 177012686 /nfs/dbraw/zinc/01/26/86/177012686.db2.gz CRUXEVYOEXPKOT-BQBZGAKWSA-N 0 0 235.110 3.142 10 0 BGAERN C[C@@H](O)[C@H](C)Oc1cccc(Cl)c1Cl ZINC000087138996 177023175 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/nfs/dbraw/zinc/94/46/56/383944656.db2.gz XKSAHZJOTZBSFL-UHFFFAOYSA-N 0 0 239.116 3.196 10 0 BGAERN Cc1cc2n[nH]cc2cc1OCc1ccccc1 ZINC000089197137 178276128 /nfs/dbraw/zinc/27/61/28/178276128.db2.gz ZOYYTMVCHNOQPF-UHFFFAOYSA-N 0 0 238.290 3.450 10 0 BGAERN FC(F)(F)Sc1ccc2c[nH]nc2c1 ZINC000089197282 383943449 /nfs/dbraw/zinc/94/34/49/383943449.db2.gz WMDOGJVVCFVBEX-UHFFFAOYSA-N 0 0 218.203 3.175 10 0 BGAERN Nc1ccc(Oc2ccc3c[nH]nc3c2)c(F)c1 ZINC000089197311 383944979 /nfs/dbraw/zinc/94/49/79/383944979.db2.gz KUYYWDVYWXRVBO-UHFFFAOYSA-N 0 0 243.241 3.077 10 0 BGAERN c1cn2cc(-c3ccsc3)ccc2n1 ZINC000089201348 383944565 /nfs/dbraw/zinc/94/45/65/383944565.db2.gz AIFVRZXJBULZKP-UHFFFAOYSA-N 0 0 200.266 3.063 10 0 BGAERN Cc1cc(N)ccc1Oc1ccn2ccnc2c1 ZINC000089201410 178107615 /nfs/dbraw/zinc/10/76/15/178107615.db2.gz YAAGKCDMOVDKGV-UHFFFAOYSA-N 0 0 239.278 3.017 10 0 BGAERN Clc1cc(-c2ccn3ccnc3c2)ccn1 ZINC000089201443 383944801 /nfs/dbraw/zinc/94/48/01/383944801.db2.gz FCKCPCRTAXIJRP-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/95/18/00/383951800.db2.gz VZKMZXHTVTVPRL-UHFFFAOYSA-N 0 0 214.268 3.392 10 0 BGAERN Clc1ccc(-c2[nH]nc3ncccc32)cc1 ZINC000089224682 383951248 /nfs/dbraw/zinc/95/12/48/383951248.db2.gz CAHADTWOVIIMAC-UHFFFAOYSA-N 0 0 229.670 3.278 10 0 BGAERN Cc1cc(C)n2cc(-c3ccccc3)nc2n1 ZINC000089229093 383951529 /nfs/dbraw/zinc/95/15/29/383951529.db2.gz HILZOWOLOMOVBM-UHFFFAOYSA-N 0 0 223.279 3.013 10 0 BGAERN Clc1cc2sc(Br)nc2cn1 ZINC000089229130 383952115 /nfs/dbraw/zinc/95/21/15/383952115.db2.gz GOZDKFLYMAEREY-UHFFFAOYSA-N 0 0 249.520 3.107 10 0 BGAERN Clc1nccc2sc(Br)nc21 ZINC000089229137 383950690 /nfs/dbraw/zinc/95/06/90/383950690.db2.gz WZLFNVNDNFMBCG-UHFFFAOYSA-N 0 0 249.520 3.107 10 0 BGAERN CC(C)c1nc2cnc(Cl)cc2s1 ZINC000089229148 383950988 /nfs/dbraw/zinc/95/09/88/383950988.db2.gz OYHQFAROPVBQSF-UHFFFAOYSA-N 0 0 212.705 3.468 10 0 BGAERN CC(C)c1nc2c(ccnc2Cl)s1 ZINC000089229161 383951129 /nfs/dbraw/zinc/95/11/29/383951129.db2.gz SPDJDKRSXAELGA-UHFFFAOYSA-N 0 0 212.705 3.468 10 0 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177385097 /nfs/dbraw/zinc/38/50/97/177385097.db2.gz LOICBIXFJYUGJY-IINYFYTJSA-N 0 0 241.290 3.085 10 0 BGAERN C/C=C(/C)C(=O)O[C@@H](C)c1nc2ccccc2[nH]1 ZINC000089968064 644574720 /nfs/dbraw/zinc/57/47/20/644574720.db2.gz NVXUECZIFLIJSM-FWAPLPHYSA-N 0 0 244.294 3.133 10 0 BGAERN C/C=C(/C)C(=O)O[C@H](C)c1nc2ccccc2[nH]1 ZINC000089968065 642637081 /nfs/dbraw/zinc/63/70/81/642637081.db2.gz NVXUECZIFLIJSM-ZUYFITGHSA-N 0 0 244.294 3.133 10 0 BGAERN C/C=C(\C)C(=O)O[C@@H](C)Cc1ccc(OC)cc1 ZINC000089968862 644574143 /nfs/dbraw/zinc/57/41/43/644574143.db2.gz WAGZFXAUSPDDQF-JVOXIWMLSA-N 0 0 248.322 3.136 10 0 BGAERN C/C=C(\C)C(=O)O[C@H](C)Cc1ccc(OC)cc1 ZINC000089968863 644574453 /nfs/dbraw/zinc/57/44/53/644574453.db2.gz WAGZFXAUSPDDQF-JXDHDYMSSA-N 0 0 248.322 3.136 10 0 BGAERN Cc1cc2c(ncnc2NC(C)(C)C)s1 ZINC000090065209 345563916 /nfs/dbraw/zinc/56/39/16/345563916.db2.gz YDDOTPOOTRUTOH-UHFFFAOYSA-N 0 0 221.329 3.210 10 0 BGAERN Cc1cc2c(ncnc2N[C@@H](C)C(C)C)s1 ZINC000090065995 345564203 /nfs/dbraw/zinc/56/42/03/345564203.db2.gz YBXMICZHTYVYQY-VIFPVBQESA-N 0 0 235.356 3.456 10 0 BGAERN Cc1cc2c(ncnc2N[C@H](C)C(C)C)s1 ZINC000090065996 345564312 /nfs/dbraw/zinc/56/43/12/345564312.db2.gz YBXMICZHTYVYQY-SECBINFHSA-N 0 0 235.356 3.456 10 0 BGAERN C/C=C/CCNc1ncnc2sc(C)cc21 ZINC000090093073 345570021 /nfs/dbraw/zinc/57/00/21/345570021.db2.gz RJGOZKXSEQEAPY-ONEGZZNKSA-N 0 0 233.340 3.378 10 0 BGAERN CC(C)(C)[C@@H]1CCCC[C@H]1OCCCCO ZINC000090156317 187626534 /nfs/dbraw/zinc/62/65/34/187626534.db2.gz GFVWSUIPAJYAEG-CHWSQXEVSA-N 0 0 228.376 3.380 10 0 BGAERN O=C1NCc2ccccc2N1c1ccccc1 ZINC000090161377 345752974 /nfs/dbraw/zinc/75/29/74/345752974.db2.gz GJDUQVMPZNBYJF-UHFFFAOYSA-N 0 0 224.263 3.048 10 0 BGAERN Cc1ccc([C@@H](C)NCc2cncn2C(C)C)o1 ZINC000090207930 360064937 /nfs/dbraw/zinc/06/49/37/360064937.db2.gz IEDUNTZBNSBTND-GFCCVEGCSA-N 0 0 247.342 3.216 10 0 BGAERN Cc1ccc([C@H](C)NCc2cncn2C(C)C)o1 ZINC000090207931 360064609 /nfs/dbraw/zinc/06/46/09/360064609.db2.gz IEDUNTZBNSBTND-LBPRGKRZSA-N 0 0 247.342 3.216 10 0 BGAERN CC(C)Oc1cc(Cl)c2cc(N)ccc2n1 ZINC000090372249 167287124 /nfs/dbraw/zinc/28/71/24/167287124.db2.gz WLRINEQXCDPNNT-UHFFFAOYSA-N 0 0 236.702 3.258 10 0 BGAERN CC(C)Oc1cc(N)cc(OC2CCCC2)c1 ZINC000090372259 368979043 /nfs/dbraw/zinc/97/90/43/368979043.db2.gz TXZNTZIKKZYMDY-UHFFFAOYSA-N 0 0 235.327 3.377 10 0 BGAERN CC[C@@H](CC(C)=O)c1ccc(OC)cc1 ZINC000090373063 368978668 /nfs/dbraw/zinc/97/86/68/368978668.db2.gz VPPTXXFJQLZBCF-NSHDSACASA-N 0 0 206.285 3.168 10 0 BGAERN CCC[C@]1(C)C(=O)Nc2ccc(Cl)cc21 ZINC000090373556 169556166 /nfs/dbraw/zinc/55/61/66/169556166.db2.gz YYLVWGOHSFRPDB-LBPRGKRZSA-N 0 0 223.703 3.350 10 0 BGAERN COc1ccc2c(Cl)ccnc2c1C ZINC000090375685 175204403 /nfs/dbraw/zinc/20/44/03/175204403.db2.gz IPVCTKAWTCJXKF-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN C[C@@H]1Cc2ccc(N)cc2N(C(C)(C)C)C1 ZINC000090377089 132311557 /nfs/dbraw/zinc/31/15/57/132311557.db2.gz NMGJIWDLJBWIRH-SNVBAGLBSA-N 0 0 218.344 3.066 10 0 BGAERN C[C@H]1Cc2ccc(N)cc2N(C(C)(C)C)C1 ZINC000090377091 132311549 /nfs/dbraw/zinc/31/15/49/132311549.db2.gz NMGJIWDLJBWIRH-JTQLQIEISA-N 0 0 218.344 3.066 10 0 BGAERN Cc1ccc(-c2ncccc2Cl)cn1 ZINC000090396194 178339030 /nfs/dbraw/zinc/33/90/30/178339030.db2.gz CWLWKJHQZSCNHS-UHFFFAOYSA-N 0 0 204.660 3.105 10 0 BGAERN CC[C@@H](C)[C@@H](C)C1(C(N)=O)CCCCCC1 ZINC000090413573 636582538 /nfs/dbraw/zinc/58/25/38/636582538.db2.gz CSSRIERVRQSMGN-VXGBXAGGSA-N 0 0 225.376 3.495 10 0 BGAERN CC[C@H](C)[C@@H](C)C1(C(N)=O)CCCCCC1 ZINC000090413575 636583203 /nfs/dbraw/zinc/58/32/03/636583203.db2.gz CSSRIERVRQSMGN-NWDGAFQWSA-N 0 0 225.376 3.495 10 0 BGAERN CC[C@@H](C)[C@H](C)C1(C(N)=O)CCCCCC1 ZINC000090413579 636582573 /nfs/dbraw/zinc/58/25/73/636582573.db2.gz CSSRIERVRQSMGN-NEPJUHHUSA-N 0 0 225.376 3.495 10 0 BGAERN CC[C@H](C)[C@H](C)C1(C(N)=O)CCCCCC1 ZINC000090413580 636582716 /nfs/dbraw/zinc/58/27/16/636582716.db2.gz CSSRIERVRQSMGN-RYUDHWBXSA-N 0 0 225.376 3.495 10 0 BGAERN CC[C@H](CC(C)=O)c1ccc(OC)cc1 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ZZUVEQBLCZXPJE-UHFFFAOYSA-N 0 0 226.323 3.353 10 0 BGAERN Nc1ccc(Cl)c(OCc2cccc(O)c2)c1 ZINC000094691955 343076396 /nfs/dbraw/zinc/07/63/96/343076396.db2.gz SZRCVPLDLIYPJK-UHFFFAOYSA-N 0 0 249.697 3.207 10 0 BGAERN COc1ccc(CCC(C)=O)c2ccccc12 ZINC000094693606 175088604 /nfs/dbraw/zinc/08/86/04/175088604.db2.gz AYKLAYHHDBNQGW-UHFFFAOYSA-N 0 0 228.291 3.370 10 0 BGAERN Cc1ccsc1/C=C/C(=O)OC(C)(C)C ZINC000094755185 644727576 /nfs/dbraw/zinc/72/75/76/644727576.db2.gz KADRJKWUJUKBRD-AATRIKPKSA-N 0 0 224.325 3.411 10 0 BGAERN Cc1[nH]c2ccccc2c1CC(=O)OC(C)(C)C ZINC000094755254 362945612 /nfs/dbraw/zinc/94/56/12/362945612.db2.gz JINWIWWFVFECSO-UHFFFAOYSA-N 0 0 245.322 3.361 10 0 BGAERN CC(C)(C)OC(=O)/C=C/c1ccccc1F ZINC000094755265 538603633 /nfs/dbraw/zinc/60/36/33/538603633.db2.gz KFMCLVGDICPETP-CMDGGOBGSA-N 0 0 222.259 3.181 10 0 BGAERN Cc1ccccc1/C=C/C(=O)OC(C)(C)C ZINC000094755267 538601905 /nfs/dbraw/zinc/60/19/05/538601905.db2.gz DQSGDKLGRAAAHG-MDZDMXLPSA-N 0 0 218.296 3.350 10 0 BGAERN 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360322036 /nfs/dbraw/zinc/32/20/36/360322036.db2.gz QNEXNMXQYOUWOQ-SNVBAGLBSA-N 0 0 247.269 3.218 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)c2ccco2)cc1F ZINC000094820601 360321607 /nfs/dbraw/zinc/32/16/07/360321607.db2.gz QNEXNMXQYOUWOQ-JTQLQIEISA-N 0 0 247.269 3.218 10 0 BGAERN Cc1cc(CN[C@@H](C)c2ccc(C)c(F)c2)no1 ZINC000094837790 360322659 /nfs/dbraw/zinc/32/26/59/360322659.db2.gz BKFSLDCJGJMMNU-NSHDSACASA-N 0 0 248.301 3.281 10 0 BGAERN CCn1cccc1CNc1cc(OC)ccc1F ZINC000094854651 172208768 /nfs/dbraw/zinc/20/87/68/172208768.db2.gz BGSSEDRWBPYARM-UHFFFAOYSA-N 0 0 248.301 3.268 10 0 BGAERN CC[C@H](Nc1ncnc2c1CCCC2)C(C)C ZINC000094872011 537853378 /nfs/dbraw/zinc/85/33/78/537853378.db2.gz GJUXWDBKRIZAEV-LBPRGKRZSA-N 0 0 233.359 3.202 10 0 BGAERN CC[C@@H](Nc1ncnc2c1CCCC2)C(C)C ZINC000094872012 537853563 /nfs/dbraw/zinc/85/35/63/537853563.db2.gz GJUXWDBKRIZAEV-GFCCVEGCSA-N 0 0 233.359 3.202 10 0 BGAERN C[C@H](Nc1ncnc2c1CCCC2)C1CCCC1 ZINC000094872222 537853485 /nfs/dbraw/zinc/85/34/85/537853485.db2.gz LUDORTBSQAQRLL-NSHDSACASA-N 0 0 245.370 3.346 10 0 BGAERN C[C@@H](Nc1ncnc2c1CCCC2)C1CCCC1 ZINC000094872223 537853235 /nfs/dbraw/zinc/85/32/35/537853235.db2.gz LUDORTBSQAQRLL-LLVKDONJSA-N 0 0 245.370 3.346 10 0 BGAERN CC(C)CC1(CNC(=O)n2ccnc2)CCCC1 ZINC000094884255 644733058 /nfs/dbraw/zinc/73/30/58/644733058.db2.gz UZMMCSHITFYRFQ-UHFFFAOYSA-N 0 0 249.358 3.047 10 0 BGAERN Cc1ccc(N[C@@H](C)c2ccc(C)c(F)c2)nn1 ZINC000094957750 487564944 /nfs/dbraw/zinc/56/49/44/487564944.db2.gz IQKPNWLTNGUSST-NSHDSACASA-N 0 0 245.301 3.406 10 0 BGAERN Cc1cnc(N[C@@H](C)c2ccc(C)c(F)c2)nc1 ZINC000094957814 386474152 /nfs/dbraw/zinc/47/41/52/386474152.db2.gz KWGKMQYBIMWFAS-NSHDSACASA-N 0 0 245.301 3.406 10 0 BGAERN Cc1ccc([C@@H](C)Nc2cnccn2)cc1F ZINC000094957882 386472059 /nfs/dbraw/zinc/47/20/59/386472059.db2.gz DNGYYTDXHJKJIN-SNVBAGLBSA-N 0 0 231.274 3.097 10 0 BGAERN Cc1ccc([C@H](C)Nc2cnccn2)cc1F ZINC000094957883 386472745 /nfs/dbraw/zinc/47/27/45/386472745.db2.gz DNGYYTDXHJKJIN-JTQLQIEISA-N 0 0 231.274 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191061312 /nfs/dbraw/zinc/06/13/12/191061312.db2.gz QDGCOQSLLQULET-UHFFFAOYSA-N 0 0 240.022 3.171 10 0 BGAERN c1ccc(-c2cccc3nnccc32)cc1 ZINC000098179830 183380601 /nfs/dbraw/zinc/38/06/01/183380601.db2.gz MRFIMTGTEOZFKE-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 BGAERN c1ccc(-c2cccc3ccnnc32)cc1 ZINC000098179831 183380656 /nfs/dbraw/zinc/38/06/56/183380656.db2.gz RKJQUYYSNVGEOD-UHFFFAOYSA-N 0 0 206.248 3.297 10 0 BGAERN Clc1cc2cccnc2nc1Br ZINC000098179895 384602454 /nfs/dbraw/zinc/60/24/54/384602454.db2.gz CTOHOLZTPASUOQ-UHFFFAOYSA-N 0 0 243.491 3.046 10 0 BGAERN Cc1ccc(F)c(C)c1Br ZINC000098179932 384601669 /nfs/dbraw/zinc/60/16/69/384601669.db2.gz PZHZJWQDQIZGEE-UHFFFAOYSA-N 0 0 203.054 3.205 10 0 BGAERN O=Cc1cccc2nc(-c3ccccc3)oc21 ZINC000098179943 384601427 /nfs/dbraw/zinc/60/14/27/384601427.db2.gz YVQBPKPDZXGVKB-UHFFFAOYSA-N 0 0 223.231 3.307 10 0 BGAERN O=Cc1ccccc1-c1nc2ccccc2o1 ZINC000098179944 384602103 /nfs/dbraw/zinc/60/21/03/384602103.db2.gz MBBWGWVJHUEFIA-UHFFFAOYSA-N 0 0 223.231 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/nfs/dbraw/zinc/60/08/66/384600866.db2.gz KACGSRQYMBZIRU-UHFFFAOYSA-N 0 0 244.677 3.384 10 0 BGAERN Cc1cc2c(ncnc2Cl)n1-c1ccccc1 ZINC000098180811 178278485 /nfs/dbraw/zinc/27/84/85/178278485.db2.gz WRRJBALRKSHRPQ-UHFFFAOYSA-N 0 0 243.697 3.382 10 0 BGAERN Fc1ccc(-c2nc(Cl)nc3[nH]ccc32)cc1 ZINC000098180816 384601087 /nfs/dbraw/zinc/60/10/87/384601087.db2.gz IOERXGBTOARORM-UHFFFAOYSA-N 0 0 247.660 3.417 10 0 BGAERN COC(=O)Oc1ccc2sc(Cl)nc2c1 ZINC000098180964 173665391 /nfs/dbraw/zinc/66/53/91/173665391.db2.gz MYDOQMOKTVRQKA-UHFFFAOYSA-N 0 0 243.671 3.095 10 0 BGAERN COC(=O)c1ccc2sc(Cl)nc2c1C ZINC000098180987 384601565 /nfs/dbraw/zinc/60/15/65/384601565.db2.gz ROPWPHLDKXTKKD-UHFFFAOYSA-N 0 0 241.699 3.045 10 0 BGAERN Cc1c(Cl)nn(-c2ccccc2)c1C ZINC000098181061 177605832 /nfs/dbraw/zinc/60/58/32/177605832.db2.gz YDVLQCDRAJJUTE-UHFFFAOYSA-N 0 0 206.676 3.143 10 0 BGAERN Cc1cc(Cl)nn1-c1ccc(C)cc1 ZINC000098181062 178348696 /nfs/dbraw/zinc/34/86/96/178348696.db2.gz BYVCIHSFURSGNJ-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/60/15/50/384601550.db2.gz NQPFFMSPSVAWBY-UHFFFAOYSA-N 0 0 208.264 3.154 10 0 BGAERN CCc1nc2cc(Br)cnc2s1 ZINC000098181395 172010944 /nfs/dbraw/zinc/01/09/44/172010944.db2.gz CZIHGAHFUMQMQG-UHFFFAOYSA-N 0 0 243.129 3.016 10 0 BGAERN CN(C(=O)OC(C)(C)C)c1cccs1 ZINC000098181462 172325151 /nfs/dbraw/zinc/32/51/51/172325151.db2.gz UXZGDYYNNFQQSH-UHFFFAOYSA-N 0 0 213.302 3.119 10 0 BGAERN COc1cccc(-c2cc(C(F)(F)F)[nH]n2)c1 ZINC000098208215 175232906 /nfs/dbraw/zinc/23/29/06/175232906.db2.gz ZYXHXNGIOSVJRA-UHFFFAOYSA-N 0 0 242.200 3.104 10 0 in-vitro BGAERN COCCc1ccccc1OCc1ccccc1 ZINC000098209782 384604063 /nfs/dbraw/zinc/60/40/63/384604063.db2.gz HYJVQDOKXPSFMR-UHFFFAOYSA-N 0 0 242.318 3.455 10 0 BGAERN CO/C=C/c1ccc(C(F)(F)F)cc1 ZINC000098210103 384605484 /nfs/dbraw/zinc/60/54/84/384605484.db2.gz HUQMISIKLCJQFD-VOTSOKGWSA-N 0 0 202.175 3.323 10 0 BGAERN CC(=O)SCC1CCC(C)(C)CC1 ZINC000098210203 187457490 /nfs/dbraw/zinc/45/74/90/187457490.db2.gz YTBRRRJKBFXNPL-UHFFFAOYSA-N 0 0 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172200988 /nfs/dbraw/zinc/20/09/88/172200988.db2.gz RBKDIWGLFCPRFQ-UHFFFAOYSA-N 0 0 223.279 3.070 10 0 BGAERN c1nc2c(ccc3c2SC=CN3)s1 ZINC000100115363 384615882 /nfs/dbraw/zinc/61/58/82/384615882.db2.gz IRESRXHKLWSPIS-UHFFFAOYSA-N 0 0 206.295 3.285 10 0 BGAERN c1nc2cc3c(cc2s1)SC=CN3 ZINC000100131912 384619961 /nfs/dbraw/zinc/61/99/61/384619961.db2.gz UIFVUVHWCHXBCP-UHFFFAOYSA-N 0 0 206.295 3.285 10 0 BGAERN Cc1ccc(/N=c2/ssnc2Cl)cc1 ZINC000100138458 178361486 /nfs/dbraw/zinc/36/14/86/178361486.db2.gz NMXUDKKDUSZJDB-PKNBQFBNSA-N 0 0 242.756 3.399 10 0 BGAERN Cc1cnc(C)c(N[C@H]2CCC[C@@H](C)[C@H]2C)n1 ZINC000100215030 384624372 /nfs/dbraw/zinc/62/43/72/384624372.db2.gz IOHHBYWVRUWUPS-XWIASGKRSA-N 0 0 233.359 3.330 10 0 BGAERN Cc1cnc(C)c(N[C@H]2CCC[C@H](C)[C@H]2C)n1 ZINC000100215035 384624048 /nfs/dbraw/zinc/62/40/48/384624048.db2.gz IOHHBYWVRUWUPS-NDMJEZRESA-N 0 0 233.359 3.330 10 0 BGAERN O[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1 ZINC000100221787 183204054 /nfs/dbraw/zinc/20/40/54/183204054.db2.gz 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ZINC000100285305 187290798 /nfs/dbraw/zinc/29/07/98/187290798.db2.gz RVIKBFXAXKNSMW-BPUTZDHNSA-N 0 0 248.366 3.092 10 0 BGAERN COC(=O)C[C@H]1CC[C@H](c2ccc(O)cc2)CC1 ZINC000100285548 388671621 /nfs/dbraw/zinc/67/16/21/388671621.db2.gz WTNQUMAHFJRBGX-TXEJJXNPSA-N 0 0 248.322 3.229 10 0 BGAERN Nc1ccc2c(c1)occ(-c1ccccc1)c2=O ZINC000100288042 191062836 /nfs/dbraw/zinc/06/28/36/191062836.db2.gz IZIMJGHBXQPTLJ-UHFFFAOYSA-N 0 0 237.258 3.042 10 0 BGAERN Nc1sc2c(c1-c1ccncc1)CCCC2 ZINC000100290438 384630550 /nfs/dbraw/zinc/63/05/50/384630550.db2.gz PVUWUSGUNXBCGJ-UHFFFAOYSA-N 0 0 230.336 3.271 10 0 BGAERN CN(C)C(=S)CSc1ccccc1 ZINC000100292735 172349811 /nfs/dbraw/zinc/34/98/11/172349811.db2.gz NKVUKLNAYIRGSJ-NTMALXAHSA-N 0 0 211.355 3.069 10 0 BGAERN c1nc2ccc3c(c2s1)SC=CN3 ZINC000100300406 187290882 /nfs/dbraw/zinc/29/08/82/187290882.db2.gz MXHAWCYBZAOGBR-UHFFFAOYSA-N 0 0 206.295 3.285 10 0 BGAERN CN1c2ccccc2N(C)C2=C1C=CCC2 ZINC000100323426 384634700 /nfs/dbraw/zinc/63/47/00/384634700.db2.gz 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/nfs/dbraw/zinc/20/51/09/175205109.db2.gz AFNQWOCCLOSDFW-UHFFFAOYSA-N 0 0 211.623 3.036 10 0 BGAERN CC(C)(C)C(=O)Nc1cc(Cl)ccc1C=O ZINC000118309208 371009451 /nfs/dbraw/zinc/00/94/51/371009451.db2.gz LQHCDYBPIXLZMW-UHFFFAOYSA-N 0 0 239.702 3.137 10 0 BGAERN CSC(=N)c1cccc(Br)c1 ZINC000118340278 384198086 /nfs/dbraw/zinc/19/80/86/384198086.db2.gz UBZIUBQUIMIRNY-UHFFFAOYSA-N 0 0 230.130 3.137 10 0 BGAERN CC(C)(O)c1cnc(-c2cccc(Cl)c2)nc1 ZINC000118341870 368344375 /nfs/dbraw/zinc/34/43/75/368344375.db2.gz DVALINVNPJWSQK-UHFFFAOYSA-N 0 0 248.713 3.024 10 0 BGAERN N#CCc1coc(-c2ccc(Cl)cc2)n1 ZINC000118354011 342773780 /nfs/dbraw/zinc/77/37/80/342773780.db2.gz ZTNLLUKPNZAALN-UHFFFAOYSA-N 0 0 218.643 3.061 10 0 BGAERN C=Cc1csc2c1ncnc2SC ZINC000118377575 371015417 /nfs/dbraw/zinc/01/54/17/371015417.db2.gz NNUQEMRNXUXZDS-UHFFFAOYSA-N 0 0 208.311 3.056 10 0 BGAERN Cc1ccc(-c2nc3cnccc3o2)cc1 ZINC000118419194 178338564 /nfs/dbraw/zinc/33/85/64/178338564.db2.gz HVHFULNCXKQAJL-UHFFFAOYSA-N 0 0 210.236 3.198 10 0 BGAERN Cc1cc(Cc2ccccc2)nc(Cl)n1 ZINC000118499529 371024545 /nfs/dbraw/zinc/02/45/45/371024545.db2.gz YOCMOKQGGXBNKW-UHFFFAOYSA-N 0 0 218.687 3.029 10 0 BGAERN Nc1nc2c(s1)CCC[C@@H]2c1ccccc1 ZINC000118502996 343047218 /nfs/dbraw/zinc/04/72/18/343047218.db2.gz OLPVNLPSGVONHL-SNVBAGLBSA-N 0 0 230.336 3.194 10 0 BGAERN Nc1nc2c(s1)CCC[C@H]2c1ccccc1 ZINC000118502998 343047327 /nfs/dbraw/zinc/04/73/27/343047327.db2.gz OLPVNLPSGVONHL-JTQLQIEISA-N 0 0 230.336 3.194 10 0 BGAERN CC[C@H](C(=O)Oc1ccccc1)C(C)C ZINC000118562208 344806883 /nfs/dbraw/zinc/80/68/83/344806883.db2.gz SYYSGZGJQQEQMY-LBPRGKRZSA-N 0 0 206.285 3.274 10 0 BGAERN CC[C@@H](C(=O)Oc1ccccc1)C(C)C ZINC000118562209 368345348 /nfs/dbraw/zinc/34/53/48/368345348.db2.gz SYYSGZGJQQEQMY-GFCCVEGCSA-N 0 0 206.285 3.274 10 0 BGAERN Clc1cc(-c2ccccn2)nc2ncccc12 ZINC000118583247 368345108 /nfs/dbraw/zinc/34/51/08/368345108.db2.gz YYTFFJWVLRBOMZ-UHFFFAOYSA-N 0 0 241.681 3.345 10 0 BGAERN Clc1ccc(OC(Cl)(Cl)Cl)cn1 ZINC000118595765 344808521 /nfs/dbraw/zinc/80/85/21/344808521.db2.gz AMSAWBIDWYQHBR-UHFFFAOYSA-N 0 0 246.908 3.442 10 0 BGAERN FC(F)(F)Oc1cnc(Cl)c(Cl)c1 ZINC000118599459 180887654 /nfs/dbraw/zinc/88/76/54/180887654.db2.gz GMUMLLFXYIATRN-UHFFFAOYSA-N 0 0 231.988 3.287 10 0 BGAERN CC(C)n1cnc2c1nc(Cl)cc2Cl ZINC000118619493 344809944 /nfs/dbraw/zinc/80/99/44/344809944.db2.gz FICGNBSSGRMFIO-UHFFFAOYSA-N 0 0 230.098 3.319 10 0 BGAERN COC(=O)c1ccc(OCC=C2CCCC2)cc1 ZINC000118620649 345771772 /nfs/dbraw/zinc/77/17/72/345771772.db2.gz BXMJFHUQIQZCIH-UHFFFAOYSA-N 0 0 246.306 3.352 10 0 BGAERN Cc1c(C2CC2)cc2[nH]c(CO)nc2c1C1CC1 ZINC000118629485 343051610 /nfs/dbraw/zinc/05/16/10/343051610.db2.gz ULWZSZUPWNRSLD-UHFFFAOYSA-N 0 0 242.322 3.118 10 0 BGAERN CCC1(CC)CC(=O)c2ccc(F)cc2O1 ZINC000118631296 343051871 /nfs/dbraw/zinc/05/18/71/343051871.db2.gz QCKBXCLVGMJHNJ-UHFFFAOYSA-N 0 0 222.259 3.350 10 0 BGAERN C[C@@]1(CF)CC(=O)c2ccc(Cl)cc2O1 ZINC000118631984 343051576 /nfs/dbraw/zinc/05/15/76/343051576.db2.gz SBDPWPQXCKAGJM-NSHDSACASA-N 0 0 228.650 3.033 10 0 BGAERN C[C@]1(CF)CC(=O)c2ccc(Cl)cc2O1 ZINC000118631985 343051713 /nfs/dbraw/zinc/05/17/13/343051713.db2.gz SBDPWPQXCKAGJM-LLVKDONJSA-N 0 0 228.650 3.033 10 0 BGAERN C#Cc1ccc(-c2ccc(Cl)cc2)cn1 ZINC000118636975 343051763 /nfs/dbraw/zinc/05/17/63/343051763.db2.gz SNBMDVKFHUISRM-UHFFFAOYSA-N 0 0 213.667 3.383 10 0 BGAERN CCCCCC1=NCC(=O)Nc2ccccc21 ZINC000118729366 343053825 /nfs/dbraw/zinc/05/38/25/343053825.db2.gz MHHNEEFTSPWNRE-UHFFFAOYSA-N 0 0 230.311 3.008 10 0 BGAERN Cc1cc(Cl)c(OCCCO)c(Cl)c1 ZINC000118758312 178060964 /nfs/dbraw/zinc/06/09/64/178060964.db2.gz PCTCKYHKJAUABD-UHFFFAOYSA-N 0 0 235.110 3.063 10 0 BGAERN Cc1ccnc(-c2ccccc2Cl)n1 ZINC000118831530 343057735 /nfs/dbraw/zinc/05/77/35/343057735.db2.gz KRQZQOYWOKJLGN-UHFFFAOYSA-N 0 0 204.660 3.105 10 0 BGAERN COCCCCc1ccc(Br)cc1 ZINC000118839190 343275435 /nfs/dbraw/zinc/27/54/35/343275435.db2.gz IVUCQFMRPOMERR-UHFFFAOYSA-N 0 0 243.144 3.418 10 0 BGAERN C[C@@H](O)c1c(Cl)cccc1Br ZINC000118857195 343441153 /nfs/dbraw/zinc/44/11/53/343441153.db2.gz UCEAGTLQGIZFPD-RXMQYKEDSA-N 0 0 235.508 3.156 10 0 BGAERN C[C@H](O)c1c(Cl)cccc1Br ZINC000118857197 343441401 /nfs/dbraw/zinc/44/14/01/343441401.db2.gz UCEAGTLQGIZFPD-YFKPBYRVSA-N 0 0 235.508 3.156 10 0 BGAERN COc1cc(Br)c2cnccc2c1 ZINC000118863500 188154139 /nfs/dbraw/zinc/15/41/39/188154139.db2.gz KOPSDOQUXJXWBM-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN Cc1cc(Br)cc(C(F)F)n1 ZINC000118883392 343519105 /nfs/dbraw/zinc/51/91/05/343519105.db2.gz YZFJZGHDTSNANK-UHFFFAOYSA-N 0 0 222.032 3.090 10 0 BGAERN C[C@@H](O)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000118885233 343059141 /nfs/dbraw/zinc/05/91/41/343059141.db2.gz RAQUYMGCGTUCHW-LLVKDONJSA-N 0 0 238.290 3.055 10 0 BGAERN C[C@H](O)c1ccc(-c2cn3ccccc3n2)cc1 ZINC000118885234 343059210 /nfs/dbraw/zinc/05/92/10/343059210.db2.gz RAQUYMGCGTUCHW-NSHDSACASA-N 0 0 238.290 3.055 10 0 BGAERN CCOC(=O)CCc1ccc(O)c2ccccc12 ZINC000118893179 368976201 /nfs/dbraw/zinc/97/62/01/368976201.db2.gz LGGICFDCAXCCSD-UHFFFAOYSA-N 0 0 244.290 3.041 10 0 BGAERN Cc1cnc(-c2ccc3c(c2)CCC3=O)s1 ZINC000118902228 343061613 /nfs/dbraw/zinc/06/16/13/343061613.db2.gz QRZYUODFJKULET-UHFFFAOYSA-N 0 0 229.304 3.247 10 0 BGAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1C ZINC000119188663 388108781 /nfs/dbraw/zinc/10/87/81/388108781.db2.gz MDYWJCJADNNKRF-MFKMUULPSA-N 0 0 235.302 3.053 10 0 BGAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1C ZINC000119188767 323913645 /nfs/dbraw/zinc/91/36/45/323913645.db2.gz MDYWJCJADNNKRF-GWCFXTLKSA-N 0 0 235.302 3.053 10 0 BGAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(F)cc1C ZINC000119188853 388108796 /nfs/dbraw/zinc/10/87/96/388108796.db2.gz MDYWJCJADNNKRF-ZWNOBZJWSA-N 0 0 235.302 3.053 10 0 BGAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)cc1C ZINC000119188946 388108811 /nfs/dbraw/zinc/10/88/11/388108811.db2.gz MDYWJCJADNNKRF-GXFFZTMASA-N 0 0 235.302 3.053 10 0 BGAERN CCC1CCC(NC(=O)[C@H]2CC2(C)C)CC1 ZINC000119240535 387111631 /nfs/dbraw/zinc/11/16/31/387111631.db2.gz ICAIGGVVUFKGHG-HTAVTVPLSA-N 0 0 223.360 3.118 10 0 BGAERN CCCC[C@H](CCC)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000119366769 387131600 /nfs/dbraw/zinc/13/16/00/387131600.db2.gz TXHIPLGZIXXSLP-AVGNSLFASA-N 0 0 241.375 3.029 10 0 BGAERN CCCC[C@H](CCC)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000119367060 323923135 /nfs/dbraw/zinc/92/31/35/323923135.db2.gz TXHIPLGZIXXSLP-RWMBFGLXSA-N 0 0 241.375 3.029 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)C2CC=CC2)cc1F ZINC000119421460 187899791 /nfs/dbraw/zinc/89/97/91/187899791.db2.gz OEEFDYZBWSXKHJ-NSHDSACASA-N 0 0 247.313 3.278 10 0 BGAERN CCC[C@H](C)[C@@H]1CCCN1C(=O)N[C@@H]1C[C@@H]1C ZINC000119484212 387137807 /nfs/dbraw/zinc/13/78/07/387137807.db2.gz XZFZPOCAKAIGAG-RVMXOQNASA-N 0 0 238.375 3.005 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)C2CC2)cc1F ZINC000119494188 387138645 /nfs/dbraw/zinc/13/86/45/387138645.db2.gz IPVAXIGEBGBXPR-QWRGUYRKSA-N 0 0 249.329 3.357 10 0 BGAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)C2CC2)cc1F ZINC000119494341 387137637 /nfs/dbraw/zinc/13/76/37/387137637.db2.gz IPVAXIGEBGBXPR-MNOVXSKESA-N 0 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3.068 10 0 BGAERN CC1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000120000616 167871106 /nfs/dbraw/zinc/87/11/06/167871106.db2.gz BSBDVIGPUVMFQB-DTWKUNHWSA-N 0 0 249.276 3.024 10 0 BGAERN CC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000120000773 384321647 /nfs/dbraw/zinc/32/16/47/384321647.db2.gz BSBDVIGPUVMFQB-IUCAKERBSA-N 0 0 249.276 3.024 10 0 BGAERN CC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000120000917 387148071 /nfs/dbraw/zinc/14/80/71/387148071.db2.gz BSBDVIGPUVMFQB-RKDXNWHRSA-N 0 0 249.276 3.024 10 0 BGAERN CC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000120001081 167872210 /nfs/dbraw/zinc/87/22/10/167872210.db2.gz BSBDVIGPUVMFQB-BDAKNGLRSA-N 0 0 249.276 3.024 10 0 BGAERN CCn1ccnc1C[N@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000120088652 387178834 /nfs/dbraw/zinc/17/88/34/387178834.db2.gz RAIBSZJIWLQKCL-UONOGXRCSA-N 0 0 249.402 3.304 10 0 BGAERN CCn1ccnc1C[N@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000120088780 387178069 /nfs/dbraw/zinc/17/80/69/387178069.db2.gz RAIBSZJIWLQKCL-KBPBESRZSA-N 0 0 249.402 3.304 10 0 BGAERN CC(=O)c1ccc(Oc2ncccn2)c(Cl)c1 ZINC000120376546 188574790 /nfs/dbraw/zinc/57/47/90/188574790.db2.gz NPMVMEOMQSVVNA-UHFFFAOYSA-N 0 0 248.669 3.125 10 0 BGAERN CCC1CCC(NC(=O)C2=CCCC2)CC1 ZINC000120409132 387242911 /nfs/dbraw/zinc/24/29/11/387242911.db2.gz DNDBQTLUTKXRRP-UHFFFAOYSA-N 0 0 221.344 3.182 10 0 BGAERN CCONC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000120420242 589412735 /nfs/dbraw/zinc/41/27/35/589412735.db2.gz WLYSXXBJDRGLTR-GFCCVEGCSA-N 0 0 249.354 3.056 10 0 BGAERN CC(C)[C@@H](C)NC(=O)c1ccc2ncccc2c1 ZINC000120473979 167378087 /nfs/dbraw/zinc/37/80/87/167378087.db2.gz BATISRAROMTZOT-LLVKDONJSA-N 0 0 242.322 3.009 10 0 BGAERN CC(C)[C@H](C)NC(=O)c1ccc2ncccc2c1 ZINC000120474117 384354773 /nfs/dbraw/zinc/35/47/73/384354773.db2.gz BATISRAROMTZOT-NSHDSACASA-N 0 0 242.322 3.009 10 0 BGAERN CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1C[C@@H]1C ZINC000120488651 589421678 /nfs/dbraw/zinc/42/16/78/589421678.db2.gz WPLWONRZAAYMHO-GMXVVIOVSA-N 0 0 248.322 3.346 10 0 BGAERN 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Clc1nccc(-c2ccc3cccnc3c2)n1 ZINC000124623279 384659912 /nfs/dbraw/zinc/65/99/12/384659912.db2.gz OADGZZXZUOBSDY-UHFFFAOYSA-N 0 0 241.681 3.345 10 0 BGAERN Clc1cc(-c2cccc3ncccc32)ncn1 ZINC000124627700 384660876 /nfs/dbraw/zinc/66/08/76/384660876.db2.gz ANRGOOPALZTTMT-UHFFFAOYSA-N 0 0 241.681 3.345 10 0 BGAERN CCc1ccc([C@@H]2CCCC[N@H+]2CC)o1 ZINC000124811910 387634949 /nfs/dbraw/zinc/63/49/49/387634949.db2.gz WHFGHNLNISYDFH-LBPRGKRZSA-N 0 0 207.317 3.389 10 0 BGAERN CCc1ccc([C@H]2CCCC[N@H+]2CC)o1 ZINC000124812011 387633772 /nfs/dbraw/zinc/63/37/72/387633772.db2.gz WHFGHNLNISYDFH-GFCCVEGCSA-N 0 0 207.317 3.389 10 0 BGAERN CCc1ccc([C@@H]2CCCC[N@@H+]2CCOC)o1 ZINC000124820357 387634570 /nfs/dbraw/zinc/63/45/70/387634570.db2.gz GRYQPCBNNAKDTL-ZDUSSCGKSA-N 0 0 237.343 3.015 10 0 BGAERN CCc1ccc([C@H]2CCCC[N@@H+]2CCOC)o1 ZINC000124820612 387634714 /nfs/dbraw/zinc/63/47/14/387634714.db2.gz GRYQPCBNNAKDTL-CYBMUJFWSA-N 0 0 237.343 3.015 10 0 BGAERN CCCN(C)C(=O)NC1CCC(CC)CC1 ZINC000124882956 371249753 /nfs/dbraw/zinc/24/97/53/371249753.db2.gz CSHCBCAFBLAUEU-UHFFFAOYSA-N 0 0 226.364 3.007 10 0 BGAERN CSCc1ccc(NCc2cc[nH]c2)cc1 ZINC000124937474 324628821 /nfs/dbraw/zinc/62/88/21/324628821.db2.gz PKKDWQBTEADAAX-UHFFFAOYSA-N 0 0 232.352 3.490 10 0 BGAERN CCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000124993851 168236934 /nfs/dbraw/zinc/23/69/34/168236934.db2.gz PNQDZTMYXTWAGT-GXFFZTMASA-N 0 0 217.312 3.151 10 0 BGAERN CCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000124994012 168241955 /nfs/dbraw/zinc/24/19/55/168241955.db2.gz PNQDZTMYXTWAGT-GWCFXTLKSA-N 0 0 217.312 3.151 10 0 BGAERN CCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000124994233 168237819 /nfs/dbraw/zinc/23/78/19/168237819.db2.gz PNQDZTMYXTWAGT-ZWNOBZJWSA-N 0 0 217.312 3.151 10 0 BGAERN CCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000124994482 168241561 /nfs/dbraw/zinc/24/15/61/168241561.db2.gz PNQDZTMYXTWAGT-MFKMUULPSA-N 0 0 217.312 3.151 10 0 BGAERN Cc1ccc(F)c(-c2cncc(C=O)c2)c1 ZINC000125031782 538092591 /nfs/dbraw/zinc/09/25/91/538092591.db2.gz SZAHHNDLWHDICO-UHFFFAOYSA-N 0 0 215.227 3.009 10 0 BGAERN Cc1ccc(F)cc1-c1cncc(C=O)c1 ZINC000125032006 538092577 /nfs/dbraw/zinc/09/25/77/538092577.db2.gz RVHDABKCYOYRBW-UHFFFAOYSA-N 0 0 215.227 3.009 10 0 BGAERN Cc1cc(-c2cncc(C=O)c2)ccc1F ZINC000125032202 538096811 /nfs/dbraw/zinc/09/68/11/538096811.db2.gz PITUYFZNOCPYJK-UHFFFAOYSA-N 0 0 215.227 3.009 10 0 BGAERN Cc1ccc(-c2cncc(C=O)c2)cc1F ZINC000125039219 541449970 /nfs/dbraw/zinc/44/99/70/541449970.db2.gz SHIFTPDNBDHVSA-UHFFFAOYSA-N 0 0 215.227 3.009 10 0 BGAERN CCCCCC(=O)C1=C(O)C(C)(C)CC1 ZINC000125055929 538097628 /nfs/dbraw/zinc/09/76/28/538097628.db2.gz GAUCRCMENLLDKB-JTQLQIEISA-N 0 0 210.317 3.141 10 0 BGAERN CCCCCC(=O)C1=C(O)C(C)(C)CC1 ZINC000125056177 538097662 /nfs/dbraw/zinc/09/76/62/538097662.db2.gz GAUCRCMENLLDKB-SNVBAGLBSA-N 0 0 210.317 3.141 10 0 BGAERN CC(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125081956 398339202 /nfs/dbraw/zinc/33/92/02/398339202.db2.gz IFFARJUKUPOLBU-RISCZKNCSA-N 0 0 231.339 3.397 10 0 BGAERN CC(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125082165 398339203 /nfs/dbraw/zinc/33/92/03/398339203.db2.gz IFFARJUKUPOLBU-FZMZJTMJSA-N 0 0 231.339 3.397 10 0 BGAERN CC(C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125082379 398339153 /nfs/dbraw/zinc/33/91/53/398339153.db2.gz IFFARJUKUPOLBU-BXUZGUMPSA-N 0 0 231.339 3.397 10 0 BGAERN CC(C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125082526 398339133 /nfs/dbraw/zinc/33/91/33/398339133.db2.gz IFFARJUKUPOLBU-SMDDNHRTSA-N 0 0 231.339 3.397 10 0 BGAERN CC[C@@H]1CC[C@H](Nc2cncc(C)c2)C1 ZINC000125087542 324631704 /nfs/dbraw/zinc/63/17/04/324631704.db2.gz MZQSPMXSJGFULA-NEPJUHHUSA-N 0 0 204.317 3.381 10 0 BGAERN CC[C@H]1CC[C@H](Nc2cncc(C)c2)C1 ZINC000125087753 324632392 /nfs/dbraw/zinc/63/23/92/324632392.db2.gz MZQSPMXSJGFULA-RYUDHWBXSA-N 0 0 204.317 3.381 10 0 BGAERN CC1(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000125183743 168057793 /nfs/dbraw/zinc/05/77/93/168057793.db2.gz LGMBJRAIWWHXLG-CHWSQXEVSA-N 0 0 235.371 3.262 10 0 BGAERN CC1(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000125183975 168059811 /nfs/dbraw/zinc/05/98/11/168059811.db2.gz LGMBJRAIWWHXLG-OLZOCXBDSA-N 0 0 235.371 3.262 10 0 BGAERN CC1(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000125184228 168060342 /nfs/dbraw/zinc/06/03/42/168060342.db2.gz LGMBJRAIWWHXLG-QWHCGFSZSA-N 0 0 235.371 3.262 10 0 BGAERN CC1(NC(=O)[C@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000125184416 168060263 /nfs/dbraw/zinc/06/02/63/168060263.db2.gz LGMBJRAIWWHXLG-STQMWFEESA-N 0 0 235.371 3.262 10 0 BGAERN COCc1ccc(CN[C@H](C)c2ccc(C)o2)o1 ZINC000125200482 386236235 /nfs/dbraw/zinc/23/62/35/386236235.db2.gz UISHRNDZRQWQIR-LLVKDONJSA-N 0 0 249.310 3.178 10 0 BGAERN COCc1ccc(CN[C@@H](C)c2ccc(C)o2)o1 ZINC000125200662 386236116 /nfs/dbraw/zinc/23/61/16/386236116.db2.gz UISHRNDZRQWQIR-NSHDSACASA-N 0 0 249.310 3.178 10 0 BGAERN Cc1cccc([C@H](C)OC(=O)[C@@H]2CC[C@H](C)O2)c1 ZINC000125210346 590156075 /nfs/dbraw/zinc/15/60/75/590156075.db2.gz NDXZPKFMFUZCBR-OBJOEFQTSA-N 0 0 248.322 3.167 10 0 BGAERN Cc1cccc([C@H](C)OC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000125210769 590156085 /nfs/dbraw/zinc/15/60/85/590156085.db2.gz NDXZPKFMFUZCBR-SGMGOOAPSA-N 0 0 248.322 3.167 10 0 BGAERN CC(C)n1ccnc1CSCC1CC1 ZINC000125299291 384705901 /nfs/dbraw/zinc/70/59/01/384705901.db2.gz AWLFRAHBBLLJET-UHFFFAOYSA-N 0 0 210.346 3.107 10 0 BGAERN CCCOc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1 ZINC000125310203 169319975 /nfs/dbraw/zinc/31/99/75/169319975.db2.gz SPCRAOCYUDSOTG-GXFFZTMASA-N 0 0 248.326 3.005 10 0 BGAERN CCCOc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1 ZINC000125310442 169319886 /nfs/dbraw/zinc/31/98/86/169319886.db2.gz SPCRAOCYUDSOTG-GWCFXTLKSA-N 0 0 248.326 3.005 10 0 BGAERN CCCOc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1 ZINC000125310888 169320181 /nfs/dbraw/zinc/32/01/81/169320181.db2.gz SPCRAOCYUDSOTG-MFKMUULPSA-N 0 0 248.326 3.005 10 0 BGAERN COc1cc(C)c(-c2ccc(N)nc2C)cc1C ZINC000125376045 411368414 /nfs/dbraw/zinc/36/84/14/411368414.db2.gz JKVUUWQHZHVJBH-UHFFFAOYSA-N 0 0 242.322 3.265 10 0 BGAERN COc1cc(C)c(-c2cnc(N)c(C)c2)cc1C ZINC000125377642 411368310 /nfs/dbraw/zinc/36/83/10/411368310.db2.gz VHOBLLNTLWUWSQ-UHFFFAOYSA-N 0 0 242.322 3.265 10 0 BGAERN COc1cc(C)c(-c2cnc(N)cc2C)cc1C ZINC000125381967 411368528 /nfs/dbraw/zinc/36/85/28/411368528.db2.gz DKWPOZXLXBSLKN-UHFFFAOYSA-N 0 0 242.322 3.265 10 0 BGAERN C/C=C/CCNc1ccc(Br)cn1 ZINC000125388427 386839396 /nfs/dbraw/zinc/83/93/96/386839396.db2.gz IRAGQQFLADNQRJ-NSCUHMNNSA-N 0 0 241.132 3.222 10 0 BGAERN Cc1cscc1NCc1cccn1C ZINC000125445936 386846369 /nfs/dbraw/zinc/84/63/69/386846369.db2.gz WQXLBIYYLGLCOP-UHFFFAOYSA-N 0 0 206.314 3.007 10 0 BGAERN COCc1ccc(CNc2cscc2C)o1 ZINC000125451391 384720663 /nfs/dbraw/zinc/72/06/63/384720663.db2.gz PCTUCJMDOBSCGP-UHFFFAOYSA-N 0 0 237.324 3.408 10 0 BGAERN Cc1cc(OCCCF)ccc1Br ZINC000125507018 343173425 /nfs/dbraw/zinc/17/34/25/343173425.db2.gz OWNFVZQHCQWYIK-UHFFFAOYSA-N 0 0 247.107 3.496 10 0 BGAERN FCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000125612225 384733995 /nfs/dbraw/zinc/73/39/95/384733995.db2.gz SLFUFQFGDCFJOR-JTQLQIEISA-N 0 0 228.336 3.030 10 0 BGAERN FCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000125612454 384734311 /nfs/dbraw/zinc/73/43/11/384734311.db2.gz SLFUFQFGDCFJOR-SNVBAGLBSA-N 0 0 228.336 3.030 10 0 BGAERN CC1(C)CC(NC(=O)n2ccnc2)CC(C)(C)C1 ZINC000125856869 590193935 /nfs/dbraw/zinc/19/39/35/590193935.db2.gz FIEMYKWDNWLWHX-UHFFFAOYSA-N 0 0 249.358 3.046 10 0 BGAERN Cc1cccc(Nc2cc[nH+]cc2C(=O)[O-])c1C ZINC000125915939 343167894 /nfs/dbraw/zinc/16/78/94/343167894.db2.gz VPTDYHIYCNJMLN-UHFFFAOYSA-N 0 0 242.278 3.140 10 0 BGAERN CCC(CC)CN(CC)C(=O)N[C@@H](C)C(C)C ZINC000125920301 371450482 /nfs/dbraw/zinc/45/04/82/371450482.db2.gz VTRCPWDAJWDFKT-LBPRGKRZSA-N 0 0 242.407 3.499 10 0 BGAERN CCC(CC)CN(CC)C(=O)N[C@H](C)C(C)C ZINC000125920500 371450637 /nfs/dbraw/zinc/45/06/37/371450637.db2.gz VTRCPWDAJWDFKT-GFCCVEGCSA-N 0 0 242.407 3.499 10 0 BGAERN CC(C)CCN(C(=O)N[C@@H](C)C(C)C)C1CC1 ZINC000125923075 371451392 /nfs/dbraw/zinc/45/13/92/371451392.db2.gz FZIOKFCLHIYKST-LBPRGKRZSA-N 0 0 240.391 3.251 10 0 BGAERN CC(C)CCN(C(=O)N[C@H](C)C(C)C)C1CC1 ZINC000125923314 371451800 /nfs/dbraw/zinc/45/18/00/371451800.db2.gz FZIOKFCLHIYKST-GFCCVEGCSA-N 0 0 240.391 3.251 10 0 BGAERN CCN(C(=O)N[C@@H](C)C(C)C)C1CCCCC1 ZINC000125937625 371454401 /nfs/dbraw/zinc/45/44/01/371454401.db2.gz FRKJHNRROGPBQX-LBPRGKRZSA-N 0 0 240.391 3.395 10 0 BGAERN CCN(C(=O)N[C@H](C)C(C)C)C1CCCCC1 ZINC000125937849 371454246 /nfs/dbraw/zinc/45/42/46/371454246.db2.gz FRKJHNRROGPBQX-GFCCVEGCSA-N 0 0 240.391 3.395 10 0 BGAERN CC[C@@H]1CCCCN1C(=O)N[C@@H](C)C(C)C ZINC000125949773 324667324 /nfs/dbraw/zinc/66/73/24/324667324.db2.gz AQYOHAVQQPMIFK-NWDGAFQWSA-N 0 0 226.364 3.005 10 0 BGAERN CC[C@H]1CCCCN1C(=O)N[C@@H](C)C(C)C ZINC000125950003 324667629 /nfs/dbraw/zinc/66/76/29/324667629.db2.gz AQYOHAVQQPMIFK-RYUDHWBXSA-N 0 0 226.364 3.005 10 0 BGAERN CC[C@@H]1CCCCN1C(=O)N[C@H](C)C(C)C ZINC000125950226 388683682 /nfs/dbraw/zinc/68/36/82/388683682.db2.gz AQYOHAVQQPMIFK-VXGBXAGGSA-N 0 0 226.364 3.005 10 0 BGAERN CC[C@H]1CCCCN1C(=O)N[C@H](C)C(C)C ZINC000125950473 388683303 /nfs/dbraw/zinc/68/33/03/388683303.db2.gz AQYOHAVQQPMIFK-NEPJUHHUSA-N 0 0 226.364 3.005 10 0 BGAERN COC[C@H](Nc1cccc2c1CCCC2)C1CC1 ZINC000125974409 388684730 /nfs/dbraw/zinc/68/47/30/388684730.db2.gz ZEGSMRUYSNJBHW-INIZCTEOSA-N 0 0 245.366 3.402 10 0 BGAERN COC[C@@H](Nc1cccc2c1CCCC2)C1CC1 ZINC000125974608 324670768 /nfs/dbraw/zinc/67/07/68/324670768.db2.gz ZEGSMRUYSNJBHW-MRXNPFEDSA-N 0 0 245.366 3.402 10 0 BGAERN Nc1csc2cc(Br)ccc12 ZINC000126055549 384766400 /nfs/dbraw/zinc/76/64/00/384766400.db2.gz JLWGAHFHABVOAP-UHFFFAOYSA-N 0 0 228.114 3.246 10 0 BGAERN CCCc1ccc(OC(=O)[C@@H]2CC[C@H](C)O2)cc1 ZINC000126264012 590261915 /nfs/dbraw/zinc/26/19/15/590261915.db2.gz OONOJFXMVYNCCW-FZMZJTMJSA-N 0 0 248.322 3.112 10 0 BGAERN CCCc1ccc(OC(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000126264223 590262211 /nfs/dbraw/zinc/26/22/11/590262211.db2.gz OONOJFXMVYNCCW-SMDDNHRTSA-N 0 0 248.322 3.112 10 0 BGAERN CCCc1ccc(OC(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000126264484 590262255 /nfs/dbraw/zinc/26/22/55/590262255.db2.gz OONOJFXMVYNCCW-RISCZKNCSA-N 0 0 248.322 3.112 10 0 BGAERN CCCc1ccc(OC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000126264684 590261992 /nfs/dbraw/zinc/26/19/92/590261992.db2.gz OONOJFXMVYNCCW-BXUZGUMPSA-N 0 0 248.322 3.112 10 0 BGAERN CCC(CC)CC(=O)N[C@@H]1COc2ccccc21 ZINC000126304782 168347601 /nfs/dbraw/zinc/34/76/01/168347601.db2.gz SMBYWMKGPAKCAG-CYBMUJFWSA-N 0 0 247.338 3.063 10 0 BGAERN CCC(CC)CC(=O)N[C@H]1COc2ccccc21 ZINC000126305054 168346550 /nfs/dbraw/zinc/34/65/50/168346550.db2.gz SMBYWMKGPAKCAG-ZDUSSCGKSA-N 0 0 247.338 3.063 10 0 BGAERN Nc1csc2ccc(Br)cc12 ZINC000126405229 384795584 /nfs/dbraw/zinc/79/55/84/384795584.db2.gz MWVCAEOMDRHVQF-UHFFFAOYSA-N 0 0 228.114 3.246 10 0 BGAERN CC(C)[C@@H](C)NC(=O)c1cccc(Cl)c1F ZINC000126410550 167380246 /nfs/dbraw/zinc/38/02/46/167380246.db2.gz MIMMTLDSRVGDIY-MRVPVSSYSA-N 0 0 243.709 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590594118 /nfs/dbraw/zinc/59/41/18/590594118.db2.gz ZCWUOOQPHGBAME-GFCCVEGCSA-N 0 0 225.332 3.186 10 0 BGAERN CC(C)OC(=O)N1CCC[C@H]1C1CCCC1 ZINC000127216900 590594130 /nfs/dbraw/zinc/59/41/30/590594130.db2.gz ZCWUOOQPHGBAME-LBPRGKRZSA-N 0 0 225.332 3.186 10 0 BGAERN CCN(c1cc(Cl)nnc1Cl)C(C)C ZINC000127219490 344042319 /nfs/dbraw/zinc/04/23/19/344042319.db2.gz JPTJYXCOSKYWLW-UHFFFAOYSA-N 0 0 234.130 3.018 10 0 BGAERN CN(c1cc(Cl)nnc1Cl)C1CCCC1 ZINC000127220231 344042366 /nfs/dbraw/zinc/04/23/66/344042366.db2.gz UBFASDRPDSFVIC-UHFFFAOYSA-N 0 0 246.141 3.162 10 0 BGAERN CC[C@@H](C)N(C)c1cc(Cl)nnc1Cl ZINC000127221788 345165381 /nfs/dbraw/zinc/16/53/81/345165381.db2.gz GBSNPSZPQNVTHP-ZCFIWIBFSA-N 0 0 234.130 3.018 10 0 BGAERN CC[C@H](C)N(C)c1cc(Cl)nnc1Cl ZINC000127222041 344042158 /nfs/dbraw/zinc/04/21/58/344042158.db2.gz GBSNPSZPQNVTHP-LURJTMIESA-N 0 0 234.130 3.018 10 0 BGAERN C[C@@H](C1CC1)N(C)c1cc(Cl)nnc1Cl ZINC000127228363 344055153 /nfs/dbraw/zinc/05/51/53/344055153.db2.gz 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371907052 /nfs/dbraw/zinc/90/70/52/371907052.db2.gz XEPCTVOMYONUNC-QMMMGPOBSA-N 0 0 224.325 3.050 10 0 BGAERN Fc1cccc(N[C@H]2CCc3c2cccc3F)n1 ZINC000132733686 711635437 /nfs/dbraw/zinc/63/54/37/711635437.db2.gz GUAQVOHMAOIUET-LBPRGKRZSA-N 0 0 246.260 3.459 10 0 BGAERN Fc1cccc(N[C@@H]2CCc3c2cccc3F)n1 ZINC000132733850 711978794 /nfs/dbraw/zinc/97/87/94/711978794.db2.gz GUAQVOHMAOIUET-GFCCVEGCSA-N 0 0 246.260 3.459 10 0 BGAERN CCNC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000132770906 325245066 /nfs/dbraw/zinc/24/50/66/325245066.db2.gz KLRLURCERJKFKT-CYBMUJFWSA-N 0 0 246.354 3.019 10 0 BGAERN CCNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000132771120 325245097 /nfs/dbraw/zinc/24/50/97/325245097.db2.gz KLRLURCERJKFKT-ZDUSSCGKSA-N 0 0 246.354 3.019 10 0 BGAERN Cc1cnccc1C(=O)CC1CCCC1 ZINC000132785109 371923637 /nfs/dbraw/zinc/92/36/37/371923637.db2.gz IREVOAGGEVUKPO-UHFFFAOYSA-N 0 0 203.285 3.153 10 0 BGAERN Cc1cnccc1C(=O)c1ccc(Cl)s1 ZINC000132798965 371923783 /nfs/dbraw/zinc/92/37/83/371923783.db2.gz 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CCCC[C@H](C)NOCc1ccccc1 ZINC000134263912 372189080 /nfs/dbraw/zinc/18/90/80/372189080.db2.gz XQPPMCYHVKZTDO-LBPRGKRZSA-N 0 0 207.317 3.287 10 0 BGAERN CCC(CC)CNOCc1ccccc1 ZINC000134264954 355294406 /nfs/dbraw/zinc/29/44/06/355294406.db2.gz LAWNRGZZEAHQDZ-UHFFFAOYSA-N 0 0 207.317 3.144 10 0 BGAERN CC(C)C[C@@H](C)NOCc1ccccc1 ZINC000134265382 372189355 /nfs/dbraw/zinc/18/93/55/372189355.db2.gz VEBMTIOPRDVTBS-GFCCVEGCSA-N 0 0 207.317 3.142 10 0 BGAERN CC(C)C[C@H](C)NOCc1ccccc1 ZINC000134265401 372189110 /nfs/dbraw/zinc/18/91/10/372189110.db2.gz VEBMTIOPRDVTBS-LBPRGKRZSA-N 0 0 207.317 3.142 10 0 BGAERN Cc1ccc(N[C@H](C(C)C)C2CC2)cn1 ZINC000134314754 325353685 /nfs/dbraw/zinc/35/36/85/325353685.db2.gz HFGULXDAOCUHGO-CYBMUJFWSA-N 0 0 204.317 3.237 10 0 BGAERN Cc1ccc(N[C@@H](C(C)C)C2CC2)cn1 ZINC000134314774 325353788 /nfs/dbraw/zinc/35/37/88/325353788.db2.gz HFGULXDAOCUHGO-ZDUSSCGKSA-N 0 0 204.317 3.237 10 0 BGAERN CC1(C)CC(=O)c2cc(Cl)c(F)cc2O1 ZINC000134373880 355590722 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/nfs/dbraw/zinc/87/37/41/342873741.db2.gz FMRNDZJSTCVCSJ-UHFFFAOYSA-N 0 0 242.775 3.465 10 0 BGAERN Clc1nc(-c2ccco2)nc2c1CSC2 ZINC000134644482 342874817 /nfs/dbraw/zinc/87/48/17/342874817.db2.gz BXZOHDUPUPGGEO-UHFFFAOYSA-N 0 0 238.699 3.137 10 0 BGAERN CC[C@@H](C)c1nc2c(c(Cl)n1)CSC2 ZINC000134646990 342874735 /nfs/dbraw/zinc/87/47/35/342874735.db2.gz UREWYMYRINWWNA-ZCFIWIBFSA-N 0 0 228.748 3.390 10 0 BGAERN CC[C@H](C)c1nc2c(c(Cl)n1)CSC2 ZINC000134647013 342874759 /nfs/dbraw/zinc/87/47/59/342874759.db2.gz UREWYMYRINWWNA-LURJTMIESA-N 0 0 228.748 3.390 10 0 BGAERN Clc1nc(C2CCC2)nc2c1CSC2 ZINC000134647043 345417373 /nfs/dbraw/zinc/41/73/73/345417373.db2.gz BQELCNSKEDBUPT-UHFFFAOYSA-N 0 0 226.732 3.144 10 0 BGAERN CC(C)c1nc2c(c(Cl)n1)CSC2 ZINC000134647782 342874791 /nfs/dbraw/zinc/87/47/91/342874791.db2.gz RYHLCIHMEJASCE-UHFFFAOYSA-N 0 0 214.721 3.000 10 0 BGAERN CCSCc1nc2c(c(Cl)n1)CSC2 ZINC000134648831 345417403 /nfs/dbraw/zinc/41/74/03/345417403.db2.gz UDOFWNVXDNRQEV-UHFFFAOYSA-N 0 0 246.788 3.130 10 0 BGAERN C/C=C/CCNc1nc2ccccc2nc1C ZINC000134666679 188404272 /nfs/dbraw/zinc/40/42/72/188404272.db2.gz NYEUVASQAOLIPM-ONEGZZNKSA-N 0 0 227.311 3.316 10 0 BGAERN CCCc1csc(-c2cccnc2)n1 ZINC000134714008 342879199 /nfs/dbraw/zinc/87/91/99/342879199.db2.gz MQMRYGYAIBNHQS-UHFFFAOYSA-N 0 0 204.298 3.158 10 0 BGAERN CCOC(=O)c1cc(C)c(Cl)c(Cl)c1N ZINC000134735389 342880961 /nfs/dbraw/zinc/88/09/61/342880961.db2.gz BZYUPQRMASPXAZ-UHFFFAOYSA-N 0 0 248.109 3.061 10 0 BGAERN CC[C@@H]1CCCN(C(=O)N2CCCCC2)CC1 ZINC000134759839 591949200 /nfs/dbraw/zinc/94/92/00/591949200.db2.gz KIZVBSPCKPOKSO-CYBMUJFWSA-N 0 0 238.375 3.104 10 0 BGAERN CC[C@H]1CCCN(C(=O)N2CCCCC2)CC1 ZINC000134759862 591949227 /nfs/dbraw/zinc/94/92/27/591949227.db2.gz KIZVBSPCKPOKSO-ZDUSSCGKSA-N 0 0 238.375 3.104 10 0 BGAERN COc1c(Cl)ncnc1SC(C)(C)C ZINC000134771907 342883997 /nfs/dbraw/zinc/88/39/97/342883997.db2.gz OXGLJIANWKNWKV-UHFFFAOYSA-N 0 0 232.736 3.029 10 0 BGAERN COc1c(Cl)ncnc1SC1CCCC1 ZINC000134774231 342886535 /nfs/dbraw/zinc/88/65/35/342886535.db2.gz NKUSUKOMDDMUPT-UHFFFAOYSA-N 0 0 244.747 3.173 10 0 BGAERN Cc1cscc1N[C@@H]1CCCSC1 ZINC000134823030 345422352 /nfs/dbraw/zinc/42/23/52/345422352.db2.gz IIOSAQJQJKBTAP-SECBINFHSA-N 0 0 213.371 3.364 10 0 BGAERN Cc1cscc1N[C@H]1CCCSC1 ZINC000134823053 342893834 /nfs/dbraw/zinc/89/38/34/342893834.db2.gz IIOSAQJQJKBTAP-VIFPVBQESA-N 0 0 213.371 3.364 10 0 BGAERN Cc1cc(NC2CCC2)cnc1Br ZINC000134834948 342896931 /nfs/dbraw/zinc/89/69/31/342896931.db2.gz BXGKSRYWJVUSDK-UHFFFAOYSA-N 0 0 241.132 3.117 10 0 BGAERN Cc1ncn(Cc2ccc3ccccc3n2)c1C ZINC000134836421 325378228 /nfs/dbraw/zinc/37/82/28/325378228.db2.gz CYMCOWKYBHOCTN-UHFFFAOYSA-N 0 0 237.306 3.096 10 0 BGAERN CC(C)(C)n1nc2c(c1Cl)CSC2 ZINC000134850328 342902169 /nfs/dbraw/zinc/90/21/69/342902169.db2.gz WDTAYWLQYKPXKD-UHFFFAOYSA-N 0 0 216.737 3.038 10 0 BGAERN Clc1c2c(nn1C1CCCC1)CSC2 ZINC000134850887 342902149 /nfs/dbraw/zinc/90/21/49/342902149.db2.gz FFNJPGUFWOINDV-UHFFFAOYSA-N 0 0 228.748 3.398 10 0 BGAERN CCCCn1nc2c(c1Cl)CSC2 ZINC000134850959 342902349 /nfs/dbraw/zinc/90/23/49/342902349.db2.gz QGCJNGUPBHXNSS-UHFFFAOYSA-N 0 0 216.737 3.083 10 0 BGAERN CC[C@@H](C)n1nc2c(c1Cl)CSC2 ZINC000134850988 342902356 /nfs/dbraw/zinc/90/23/56/342902356.db2.gz XZSHBSYDJHNERE-ZCFIWIBFSA-N 0 0 216.737 3.254 10 0 BGAERN CC[C@H](C)n1nc2c(c1Cl)CSC2 ZINC000134851009 342902363 /nfs/dbraw/zinc/90/23/63/342902363.db2.gz XZSHBSYDJHNERE-LURJTMIESA-N 0 0 216.737 3.254 10 0 BGAERN C[C@@H](C1CC1)n1nc2c(c1Cl)CSC2 ZINC000134851060 342902428 /nfs/dbraw/zinc/90/24/28/342902428.db2.gz LHCQQSBIGUSEPQ-LURJTMIESA-N 0 0 228.748 3.254 10 0 BGAERN C[C@H](C1CC1)n1nc2c(c1Cl)CSC2 ZINC000134851083 345423883 /nfs/dbraw/zinc/42/38/83/345423883.db2.gz LHCQQSBIGUSEPQ-ZCFIWIBFSA-N 0 0 228.748 3.254 10 0 BGAERN Cc1ccc(Br)c(NCCF)c1 ZINC000134864318 342908534 /nfs/dbraw/zinc/90/85/34/342908534.db2.gz ZFFPMYKLWLIYPE-UHFFFAOYSA-N 0 0 232.096 3.139 10 0 BGAERN Cc1ccc(Br)c(N2CC(C)C2)c1 ZINC000134866839 342909222 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AKVNGMALILJRPA-UHFFFAOYSA-N 0 0 217.268 3.038 10 0 BGAERN O=C1OCc2cccc(-c3ccccc3)c21 ZINC000138674574 342991858 /nfs/dbraw/zinc/99/18/58/342991858.db2.gz DAWFKUWMSAHFNP-UHFFFAOYSA-N 0 0 210.232 3.024 10 0 BGAERN C[C@@H](O)Cc1ccccc1OCc1ccccc1 ZINC000138704589 369010543 /nfs/dbraw/zinc/01/05/43/369010543.db2.gz MXDILCKLZVRUEH-CYBMUJFWSA-N 0 0 242.318 3.189 10 0 BGAERN O=Cc1c(F)cccc1OCc1ccccc1 ZINC000138750476 343005931 /nfs/dbraw/zinc/00/59/31/343005931.db2.gz ZKZOCCAZPBVUPG-UHFFFAOYSA-N 0 0 230.238 3.217 10 0 BGAERN O=C(c1ccccc1F)C(Cl)(Cl)Cl ZINC000138766992 361159044 /nfs/dbraw/zinc/15/90/44/361159044.db2.gz PTSJKNGKKZEVDR-UHFFFAOYSA-N 0 0 241.476 3.379 10 0 BGAERN O=C(c1cccc(F)c1)C(Cl)(Cl)Cl ZINC000138786615 361161239 /nfs/dbraw/zinc/16/12/39/361161239.db2.gz IHYRGKYGTMBAAH-UHFFFAOYSA-N 0 0 241.476 3.379 10 0 BGAERN N#Cc1ccc(C=O)c(Oc2ccccc2)c1 ZINC000138824460 343245932 /nfs/dbraw/zinc/24/59/32/343245932.db2.gz XMHRSSIKFUGKCR-UHFFFAOYSA-N 0 0 223.231 3.163 10 0 BGAERN 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Cc1ccccc1[C@H](C)N[C@@H](C)c1ncc[nH]1 ZINC000138909374 179339763 /nfs/dbraw/zinc/33/97/63/179339763.db2.gz CPXJJFFHJAMDJQ-RYUDHWBXSA-N 0 0 229.327 3.130 10 0 BGAERN O=C1CCC[C@@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000138930613 592321188 /nfs/dbraw/zinc/32/11/88/592321188.db2.gz WPRDGTCRTIBUOM-JTQLQIEISA-N 0 0 243.228 3.047 10 0 BGAERN O=C1CCC[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000138930733 592322119 /nfs/dbraw/zinc/32/21/19/592322119.db2.gz WPRDGTCRTIBUOM-SNVBAGLBSA-N 0 0 243.228 3.047 10 0 BGAERN CCCc1ccc([C@H](O)CC)c(OCOC)c1 ZINC000138938218 345789972 /nfs/dbraw/zinc/78/99/72/345789972.db2.gz FEDSXLXNALJUJJ-CYBMUJFWSA-N 0 0 238.327 3.065 10 0 BGAERN CCCc1ccc([C@@H](O)CC)c(OCOC)c1 ZINC000138938257 343250020 /nfs/dbraw/zinc/25/00/20/343250020.db2.gz FEDSXLXNALJUJJ-ZDUSSCGKSA-N 0 0 238.327 3.065 10 0 BGAERN Nc1cc(Oc2cccc3[nH]ccc32)ccc1O ZINC000138948983 368347055 /nfs/dbraw/zinc/34/70/55/368347055.db2.gz BUFCYIRAIWDJOA-UHFFFAOYSA-N 0 0 240.262 3.248 10 0 BGAERN O=c1oc(-c2ccc(Cl)c(Cl)c2)ns1 ZINC000138965099 183011735 /nfs/dbraw/zinc/01/17/35/183011735.db2.gz OIBSFEWMGYVZIL-UHFFFAOYSA-N 0 0 248.090 3.070 10 0 BGAERN CCc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000138980355 592331091 /nfs/dbraw/zinc/33/10/91/592331091.db2.gz KWBCQSYTOATMKQ-NEPJUHHUSA-N 0 0 243.354 3.384 10 0 BGAERN CCc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1 ZINC000138980423 592330991 /nfs/dbraw/zinc/33/09/91/592330991.db2.gz KWBCQSYTOATMKQ-RYUDHWBXSA-N 0 0 243.354 3.384 10 0 BGAERN CCc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000138980500 592331449 /nfs/dbraw/zinc/33/14/49/592331449.db2.gz KWBCQSYTOATMKQ-VXGBXAGGSA-N 0 0 243.354 3.384 10 0 BGAERN CCc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1 ZINC000138980581 592331698 /nfs/dbraw/zinc/33/16/98/592331698.db2.gz KWBCQSYTOATMKQ-NWDGAFQWSA-N 0 0 243.354 3.384 10 0 BGAERN COC(=O)c1ccc2c(c1)Cc1ccccc1O2 ZINC000139014565 343255322 /nfs/dbraw/zinc/25/53/22/343255322.db2.gz DWYSGMAREQOQEG-UHFFFAOYSA-N 0 0 240.258 3.170 10 0 BGAERN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ncc[nH]1 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CC(C)c1cc(Br)cc(C=O)c1O ZINC000143274615 374147703 /nfs/dbraw/zinc/14/77/03/374147703.db2.gz REHUIVZWVDPCHL-UHFFFAOYSA-N 0 0 243.100 3.091 10 0 BGAERN Nc1cc(Cl)c(Cl)cc1OC(F)(F)F ZINC000143286618 345897579 /nfs/dbraw/zinc/89/75/79/345897579.db2.gz KXRZZTWIAXEMOD-UHFFFAOYSA-N 0 0 246.015 3.474 10 0 BGAERN Nc1ccc(Cl)c(Cl)c1OC(F)(F)F ZINC000143286816 374147383 /nfs/dbraw/zinc/14/73/83/374147383.db2.gz UWUIVXTXPKMEIS-UHFFFAOYSA-N 0 0 246.015 3.474 10 0 BGAERN CCOC(=O)c1ccc2cccc(OC)c2c1 ZINC000143289188 374147522 /nfs/dbraw/zinc/14/75/22/374147522.db2.gz TWCAKRINAVYRNZ-UHFFFAOYSA-N 0 0 230.263 3.025 10 0 BGAERN C[C@H](O)c1ccccc1-c1cccs1 ZINC000143292676 345865299 /nfs/dbraw/zinc/86/52/99/345865299.db2.gz HLFJBMJQGSGQNF-VIFPVBQESA-N 0 0 204.294 3.468 10 0 BGAERN C[C@@H](O)c1ccccc1-c1cccs1 ZINC000143292852 345865209 /nfs/dbraw/zinc/86/52/09/345865209.db2.gz HLFJBMJQGSGQNF-SECBINFHSA-N 0 0 204.294 3.468 10 0 BGAERN COc1c(Cl)cc(Cl)c2nc(C)cnc21 ZINC000143337941 343123561 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Cc1c(N)cccc1[C@@H](C)CC(=O)OC(C)(C)C ZINC000143687649 345866745 /nfs/dbraw/zinc/86/67/45/345866745.db2.gz HNNKESBQXUBYHD-JTQLQIEISA-N 0 0 249.354 3.413 10 0 BGAERN Cc1c(N)cccc1[C@H](C)CC(=O)OC(C)(C)C ZINC000143687848 345866936 /nfs/dbraw/zinc/86/69/36/345866936.db2.gz HNNKESBQXUBYHD-SNVBAGLBSA-N 0 0 249.354 3.413 10 0 BGAERN Cc1nc2c(F)cccc2cc1Br ZINC000143716993 180066769 /nfs/dbraw/zinc/06/67/69/180066769.db2.gz PLCASVWWDPAOKY-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN N#Cc1ccc(-c2ccc(N)c(N)c2Cl)cc1 ZINC000143748178 345866995 /nfs/dbraw/zinc/86/69/95/345866995.db2.gz YKKDSTYYGFVAAP-UHFFFAOYSA-N 0 0 243.697 3.043 10 0 BGAERN COC(=O)Cc1ccccc1-c1ccccc1 ZINC000143756572 374249868 /nfs/dbraw/zinc/24/98/68/374249868.db2.gz QLYOUFBMZOASGE-UHFFFAOYSA-N 0 0 226.275 3.069 10 0 BGAERN CC(=O)Nc1ccc(C2CCCC2)cc1 ZINC000143764588 361957996 /nfs/dbraw/zinc/95/79/96/361957996.db2.gz IVDRNAIZXKUHBI-UHFFFAOYSA-N 0 0 203.285 3.303 10 0 BGAERN COc1cccc(C(F)(F)C(F)(F)F)c1 ZINC000143771983 343127488 /nfs/dbraw/zinc/12/74/88/343127488.db2.gz SBECFCPLGRAODM-UHFFFAOYSA-N 0 0 226.144 3.349 10 0 BGAERN CCCCOc1ccnc(Br)c1 ZINC000143826928 345123521 /nfs/dbraw/zinc/12/35/21/345123521.db2.gz URJIKLKLUQJCKW-UHFFFAOYSA-N 0 0 230.105 3.023 10 0 BGAERN C=Cc1cnc(C(=O)OC(C)(C)C)c(Cl)c1 ZINC000143884680 345140097 /nfs/dbraw/zinc/14/00/97/345140097.db2.gz CZUJCIHKURWYTG-UHFFFAOYSA-N 0 0 239.702 3.333 10 0 BGAERN Cc1c(Cl)cc2c(c1Cl)CCN2 ZINC000143889501 374255995 /nfs/dbraw/zinc/25/59/95/374255995.db2.gz MBPRAFWMNUPDFB-UHFFFAOYSA-N 0 0 202.084 3.270 10 0 BGAERN CN(c1cccc(Br)c1)C1CCC1 ZINC000143902973 356472861 /nfs/dbraw/zinc/47/28/61/356472861.db2.gz MPVUBJPCMCELDX-UHFFFAOYSA-N 0 0 240.144 3.438 10 0 BGAERN Nc1cc(O)c(C(F)(F)F)cc1C(F)(F)F ZINC000143910759 356472793 /nfs/dbraw/zinc/47/27/93/356472793.db2.gz LXCSQIXPJFOLGU-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN O=C1CCC(COCc2ccc(F)cc2)CC1 ZINC000143916297 342689405 /nfs/dbraw/zinc/68/94/05/342689405.db2.gz WVEDLAONCSIVAW-UHFFFAOYSA-N 0 0 236.286 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C[C@@H]1C[C@H](Cc2c[nH]cn2)Cc2ccccc21 ZINC000143975704 342691625 /nfs/dbraw/zinc/69/16/25/342691625.db2.gz HDVJIHKSIMWDRF-NEPJUHHUSA-N 0 0 226.323 3.318 10 0 BGAERN C[C@H]1C[C@H](Cc2c[nH]cn2)Cc2ccccc21 ZINC000143975909 343129262 /nfs/dbraw/zinc/12/92/62/343129262.db2.gz HDVJIHKSIMWDRF-RYUDHWBXSA-N 0 0 226.323 3.318 10 0 BGAERN Brc1cnccc1C1=CCCC1 ZINC000143978132 361981958 /nfs/dbraw/zinc/98/19/58/361981958.db2.gz LWJOAALCNVOJLJ-UHFFFAOYSA-N 0 0 224.101 3.411 10 0 BGAERN C=C(OCC)c1nc(Cl)nc2ccsc21 ZINC000143982508 541348725 /nfs/dbraw/zinc/34/87/25/541348725.db2.gz ICYFQRAGSLEZRO-UHFFFAOYSA-N 0 0 240.715 3.352 10 0 BGAERN Nc1cc(O)cc(C(F)(F)F)c1C(F)(F)F ZINC000144004746 361987517 /nfs/dbraw/zinc/98/75/17/361987517.db2.gz RVAPEXGRWBGYJL-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN CCc1cc(O)cc2c1C(=O)CCC2(C)C ZINC000144033608 342694711 /nfs/dbraw/zinc/69/47/11/342694711.db2.gz IUNREEQLODJQAT-UHFFFAOYSA-N 0 0 218.296 3.209 10 0 BGAERN C/C(I)=C\c1ccccc1 ZINC000144038811 343129578 /nfs/dbraw/zinc/12/95/78/343129578.db2.gz ZDFRRCBJYWCXFI-BQYQJAHWSA-N 0 0 244.075 3.482 10 0 BGAERN CC(=O)c1cnc2ccccc2c1-c1ccccn1 ZINC000144045560 368349080 /nfs/dbraw/zinc/34/90/80/368349080.db2.gz YJTNGTIMHBRPMF-UHFFFAOYSA-N 0 0 248.285 3.499 10 0 BGAERN O=Cc1c(F)c(Cl)c(F)c(Cl)c1F ZINC000144057222 361998678 /nfs/dbraw/zinc/99/86/78/361998678.db2.gz BCKHICABXCTJJL-UHFFFAOYSA-N 0 0 228.984 3.223 10 0 BGAERN CCCc1c(C)c(C=O)c2ccccn21 ZINC000144086486 342697741 /nfs/dbraw/zinc/69/77/41/342697741.db2.gz XDUZNBCQLIFTRY-UHFFFAOYSA-N 0 0 201.269 3.013 10 0 BGAERN Nc1c(O)cc(C(F)(F)F)cc1C(F)(F)F ZINC000144087178 356473681 /nfs/dbraw/zinc/47/36/81/356473681.db2.gz JALOSTZRUNUJES-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN CSc1cc2ccccc2cc1CO ZINC000144136572 342702054 /nfs/dbraw/zinc/70/20/54/342702054.db2.gz PDGNCWIMTLEYTG-UHFFFAOYSA-N 0 0 204.294 3.054 10 0 BGAERN Oc1cnc(Cl)c2cc(Cl)ccc12 ZINC000144140882 344826518 /nfs/dbraw/zinc/82/65/18/344826518.db2.gz QADGYVVEDMIFGA-UHFFFAOYSA-N 0 0 214.051 3.247 10 0 BGAERN Clc1cc(Nc2ccc3[nH]ccc3c2)ncn1 ZINC000144161902 342702071 /nfs/dbraw/zinc/70/20/71/342702071.db2.gz ADRWFFCEINZERM-UHFFFAOYSA-N 0 0 244.685 3.355 10 0 BGAERN Fc1ccccc1-c1ccnc2[nH]ccc21 ZINC000144209667 360527812 /nfs/dbraw/zinc/52/78/12/360527812.db2.gz ZEBGHGKFEHDRKK-UHFFFAOYSA-N 0 0 212.227 3.369 10 0 BGAERN COC(=O)c1c2ccsc2nc2ccccc21 ZINC000144235701 343131652 /nfs/dbraw/zinc/13/16/52/343131652.db2.gz CTWJMZZUWPYEIK-UHFFFAOYSA-N 0 0 243.287 3.236 10 0 BGAERN O=C1Cc2cc(OCc3ccccc3)ccc21 ZINC000144236513 343131588 /nfs/dbraw/zinc/13/15/88/343131588.db2.gz MCEJCZPPZREIJV-UHFFFAOYSA-N 0 0 224.259 3.004 10 0 BGAERN COC(=O)c1c(Cl)cccc1C1CC1 ZINC000144257723 342726199 /nfs/dbraw/zinc/72/61/99/342726199.db2.gz DADMZFBEOCLNHO-UHFFFAOYSA-N 0 0 210.660 3.004 10 0 BGAERN CC(C)c1cn2cccc(OC(F)F)c2n1 ZINC000144295882 342728959 /nfs/dbraw/zinc/72/89/59/342728959.db2.gz PTVVAJOSRJJOGR-UHFFFAOYSA-N 0 0 226.226 3.059 10 0 BGAERN CCOc1ccc(C)c(Br)c1 ZINC000144309146 344901904 /nfs/dbraw/zinc/90/19/04/344901904.db2.gz GNTXPUQREWIXOK-UHFFFAOYSA-N 0 0 215.090 3.156 10 0 BGAERN Nc1ccc(F)c(-c2ccccc2)c1F ZINC000144336681 583926898 /nfs/dbraw/zinc/92/68/98/583926898.db2.gz DRIFMIFGMJVCEH-UHFFFAOYSA-N 0 0 205.207 3.214 10 0 BGAERN CC(=C=Cc1ccc(C(F)(F)F)cc1)CO ZINC000144338928 342729791 /nfs/dbraw/zinc/72/97/91/342729791.db2.gz SNOXJZYAFCQUDG-UHFFFAOYSA-N 0 0 228.213 3.256 10 0 BGAERN c1nc2[nH]c(Cc3ccccc3)cc2s1 ZINC000144367671 183410155 /nfs/dbraw/zinc/41/01/55/183410155.db2.gz TZIGQBAZIBGEOQ-UHFFFAOYSA-N 0 0 214.293 3.215 10 0 BGAERN CCCCC(=O)c1ccc(F)cc1OC ZINC000144398883 362025289 /nfs/dbraw/zinc/02/52/89/362025289.db2.gz NYHPOQMXUXBPDX-UHFFFAOYSA-N 0 0 210.248 3.207 10 0 BGAERN Cc1cc(C(C)(C)O)c(Br)cc1F ZINC000144415251 343134534 /nfs/dbraw/zinc/13/45/34/343134534.db2.gz ZBFDCAHHZUAYMW-UHFFFAOYSA-N 0 0 247.107 3.124 10 0 BGAERN CCCCn1ccc2cc(C(=O)OC)ccc21 ZINC000144432880 342737474 /nfs/dbraw/zinc/73/74/74/342737474.db2.gz RNWAPUHJFWGKFF-UHFFFAOYSA-N 0 0 231.295 3.228 10 0 BGAERN CC(C)(c1cc(F)ccc1O)C(F)(F)F ZINC000144435722 342736337 /nfs/dbraw/zinc/73/63/37/342736337.db2.gz AMOVKBOOILCYEO-UHFFFAOYSA-N 0 0 222.181 3.371 10 0 BGAERN CCCCN1CCCc2ccc(C(=O)OC)cc21 ZINC000144437994 342736553 /nfs/dbraw/zinc/73/65/53/342736553.db2.gz MTSLKRGZKVTCNY-UHFFFAOYSA-N 0 0 247.338 3.026 10 0 BGAERN CCCCC(=O)c1cc(C)cc(C(=O)OC)c1 ZINC000144475305 342743092 /nfs/dbraw/zinc/74/30/92/342743092.db2.gz GEWHARGVRYJPRR-UHFFFAOYSA-N 0 0 234.295 3.155 10 0 BGAERN FC(F)(F)c1ccc(-c2ncco2)cc1 ZINC000144491390 356478413 /nfs/dbraw/zinc/47/84/13/356478413.db2.gz NITGRSXVWGEDCP-UHFFFAOYSA-N 0 0 213.158 3.360 10 0 BGAERN Brc1ccc(-c2cccnc2)o1 ZINC000144494555 166096256 /nfs/dbraw/zinc/09/62/56/166096256.db2.gz SMGAGBXAUXMXLV-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN ClC(Cl)(Cl)c1ccc2cccnc2n1 ZINC000144509427 388446295 /nfs/dbraw/zinc/44/62/95/388446295.db2.gz RKPRCMZLYCSITP-UHFFFAOYSA-N 0 0 247.512 3.457 10 0 BGAERN Cc1c(Br)cnn1CC1CCCC1 ZINC000144515198 345921907 /nfs/dbraw/zinc/92/19/07/345921907.db2.gz CHMLLQDLSFUEHU-UHFFFAOYSA-N 0 0 243.148 3.144 10 0 BGAERN CCN(CC)C(=O)Oc1ccc(F)c(Cl)c1 ZINC000144523597 343135966 /nfs/dbraw/zinc/13/59/66/343135966.db2.gz LOIAMNZIPMBIOZ-UHFFFAOYSA-N 0 0 245.681 3.320 10 0 BGAERN CC(C)(C)CNc1cc(Cl)nc(Cl)n1 ZINC000144526679 362044145 /nfs/dbraw/zinc/04/41/45/362044145.db2.gz NAZSPEQAFKPEGB-UHFFFAOYSA-N 0 0 234.130 3.241 10 0 BGAERN Clc1cc(NC2CCCC2)nc(Cl)n1 ZINC000144528782 362044156 /nfs/dbraw/zinc/04/41/56/362044156.db2.gz IORLIOXDPHAESS-UHFFFAOYSA-N 0 0 232.114 3.138 10 0 BGAERN Nc1ccc2oc3c(c2c1)CCCCC3 ZINC000144541230 342744858 /nfs/dbraw/zinc/74/48/58/342744858.db2.gz KORPZZQQHQLBEU-UHFFFAOYSA-N 0 0 201.269 3.284 10 0 BGAERN Brc1ccoc1-c1ccncc1 ZINC000144548552 344935527 /nfs/dbraw/zinc/93/55/27/344935527.db2.gz AVHFXTWTHMHSNC-UHFFFAOYSA-N 0 0 224.057 3.104 10 0 BGAERN CCO[C@@H]1C=Cc2ccc(Cl)cc2O1 ZINC000144551170 343135949 /nfs/dbraw/zinc/13/59/49/343135949.db2.gz UHEWBALINISCTB-NSHDSACASA-N 0 0 210.660 3.108 10 0 BGAERN CCO[C@H]1C=Cc2ccc(Cl)cc2O1 ZINC000144551393 342745464 /nfs/dbraw/zinc/74/54/64/342745464.db2.gz UHEWBALINISCTB-LLVKDONJSA-N 0 0 210.660 3.108 10 0 BGAERN Oc1ccc(F)c(Cl)c1C(F)(F)F ZINC000144551552 342745430 /nfs/dbraw/zinc/74/54/30/342745430.db2.gz RPWMNRGONDLLPL-UHFFFAOYSA-N 0 0 214.545 3.204 10 0 BGAERN COc1ccc(-c2c(C)cnnc2Cl)c(C)c1 ZINC000144553475 342746735 /nfs/dbraw/zinc/74/67/35/342746735.db2.gz NYNMUHGJNYEGLG-UHFFFAOYSA-N 0 0 248.713 3.422 10 0 BGAERN Cc1cc(C#N)c(F)c(C)c1Br ZINC000144555648 343135604 /nfs/dbraw/zinc/13/56/04/343135604.db2.gz MRYYYTSEFFCJBO-UHFFFAOYSA-N 0 0 228.064 3.077 10 0 BGAERN Oc1ccc(F)c(C(F)(F)F)c1Cl ZINC000144556504 342746784 /nfs/dbraw/zinc/74/67/84/342746784.db2.gz LVRORSPCQPGCSK-UHFFFAOYSA-N 0 0 214.545 3.204 10 0 BGAERN Oc1ccc(F)c2oc3ccccc3c21 ZINC000144585067 342747068 /nfs/dbraw/zinc/74/70/68/342747068.db2.gz KXRXMSZMVPTGPC-UHFFFAOYSA-N 0 0 202.184 3.431 10 0 BGAERN Nc1c(O)c(C(F)(F)F)ccc1C(F)(F)F ZINC000144590957 343136118 /nfs/dbraw/zinc/13/61/18/343136118.db2.gz OULGRGBGMARRNG-UHFFFAOYSA-N 0 0 245.122 3.012 10 0 BGAERN Nc1nc2ccc(OC3CCCC3)cc2s1 ZINC000144591639 636359135 /nfs/dbraw/zinc/35/91/35/636359135.db2.gz OJMCKMVORPLGJY-UHFFFAOYSA-N 0 0 234.324 3.200 10 0 BGAERN CCOC(=O)c1cc(Cl)c2ncccc2c1 ZINC000144605019 342701370 /nfs/dbraw/zinc/70/13/70/342701370.db2.gz FYMPYWUKGBBZFM-UHFFFAOYSA-N 0 0 235.670 3.065 10 0 BGAERN Cc1ccc(O)cc1NC(=O)OC(C)(C)C ZINC000144613570 345922946 /nfs/dbraw/zinc/92/29/46/345922946.db2.gz XFROHQFECHANML-UHFFFAOYSA-N 0 0 223.272 3.048 10 0 BGAERN C=CCC[C@H](C=O)c1cccc(F)c1F ZINC000144622289 345922762 /nfs/dbraw/zinc/92/27/62/345922762.db2.gz ACBXGXYGAROURK-SECBINFHSA-N 0 0 210.223 3.214 10 0 BGAERN COC(=O)c1ccc(-c2ccc(Cl)cc2)cn1 ZINC000144632340 342747224 /nfs/dbraw/zinc/74/72/24/342747224.db2.gz VSDLMZMDUPOZBL-UHFFFAOYSA-N 0 0 247.681 3.189 10 0 BGAERN CC(C)(C)c1csc(NC[C@@H]2CCCO2)n1 ZINC000144714882 343881714 /nfs/dbraw/zinc/88/17/14/343881714.db2.gz RLUKVZXLJOZHSZ-VIFPVBQESA-N 0 0 240.372 3.032 10 0 BGAERN Cc1cc(F)c(Br)c(F)c1F ZINC000144715583 368349883 /nfs/dbraw/zinc/34/98/83/368349883.db2.gz DLVKAJZSNUYHGW-UHFFFAOYSA-N 0 0 225.007 3.175 10 0 BGAERN COc1ccc(OC)c(NCC=C(C)C)c1 ZINC000144731384 175166748 /nfs/dbraw/zinc/16/67/48/175166748.db2.gz GKTBLXURYIXNMY-UHFFFAOYSA-N 0 0 221.300 3.082 10 0 BGAERN COc1ccc(-c2ccc(C=O)o2)c(C)c1 ZINC000144734957 583928537 /nfs/dbraw/zinc/92/85/37/583928537.db2.gz FIWBLNFZHOXDDZ-UHFFFAOYSA-N 0 0 216.236 3.076 10 0 BGAERN COc1ccccc1-c1cc(C(F)(F)F)on1 ZINC000144750156 342749258 /nfs/dbraw/zinc/74/92/58/342749258.db2.gz XWARBBPYFLKMLE-UHFFFAOYSA-N 0 0 243.184 3.369 10 0 BGAERN COc1c(C)cccc1CC(F)(F)F ZINC000144759460 398337675 /nfs/dbraw/zinc/33/76/75/398337675.db2.gz MTQOJGYJRRTFBL-UHFFFAOYSA-N 0 0 204.191 3.108 10 0 BGAERN CC(=O)Oc1cccc(OCc2ccccc2)c1 ZINC000144761101 342991165 /nfs/dbraw/zinc/99/11/65/342991165.db2.gz BEULXPIHPUYQCO-UHFFFAOYSA-N 0 0 242.274 3.191 10 0 BGAERN CCOC(=O)[C@@H](C)c1ccc(SCC)cc1 ZINC000144765036 342996839 /nfs/dbraw/zinc/99/68/39/342996839.db2.gz MRJLJTBIENFHDK-JTQLQIEISA-N 0 0 238.352 3.465 10 0 BGAERN CCOC(=O)[C@H](C)c1ccc(SCC)cc1 ZINC000144765249 344119215 /nfs/dbraw/zinc/11/92/15/344119215.db2.gz MRJLJTBIENFHDK-SNVBAGLBSA-N 0 0 238.352 3.465 10 0 BGAERN Cc1ccc2cc(F)c(Br)cc2n1 ZINC000144781243 356480264 /nfs/dbraw/zinc/48/02/64/356480264.db2.gz CAKRXHWMTPYDIS-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN CCOC(=O)C=C1CCC(C(F)(F)F)CC1 ZINC000144800025 583929474 /nfs/dbraw/zinc/92/94/74/583929474.db2.gz ZZMDAUKFWMSECM-UHFFFAOYSA-N 0 0 236.233 3.228 10 0 BGAERN COc1ccc(-c2c(C)ncnc2C)c(C)c1 ZINC000144810967 342751559 /nfs/dbraw/zinc/75/15/59/342751559.db2.gz QPHWOWSFSFJFBM-UHFFFAOYSA-N 0 0 228.295 3.077 10 0 BGAERN Cc1c(Cl)nc(C(F)F)nc1Cl ZINC000144827154 342752874 /nfs/dbraw/zinc/75/28/74/342752874.db2.gz CTHHRDXWOJPADL-UHFFFAOYSA-N 0 0 213.014 3.029 10 0 BGAERN Cc1cc(Cl)cc2c(Cl)ncnc12 ZINC000144833503 343013093 /nfs/dbraw/zinc/01/30/93/343013093.db2.gz VYYISKISIGFPBS-UHFFFAOYSA-N 0 0 213.067 3.245 10 0 BGAERN Cc1cc(-c2ccc(Br)cc2)no1 ZINC000144843712 398233671 /nfs/dbraw/zinc/23/36/71/398233671.db2.gz OBXSXZAYKLYTJI-UHFFFAOYSA-N 0 0 238.084 3.413 10 0 BGAERN COC(=O)Cc1cc(F)cc(-c2ccccc2)c1 ZINC000144848670 345926077 /nfs/dbraw/zinc/92/60/77/345926077.db2.gz LNPFRSDBCRYXFO-UHFFFAOYSA-N 0 0 244.265 3.208 10 0 BGAERN COP(=O)(OC)C1SC(C)=C(C)S1 ZINC000144852018 343139923 /nfs/dbraw/zinc/13/99/23/343139923.db2.gz QUJHBASAWHJKMX-UHFFFAOYSA-N 0 0 240.286 3.487 10 0 BGAERN ClCc1ccsc1Br ZINC000144858597 345925762 /nfs/dbraw/zinc/92/57/62/345925762.db2.gz KYCPHLZHYHMPAI-UHFFFAOYSA-N 0 0 211.511 3.249 10 0 BGAERN COc1ccc(-c2c(C)cnnc2C)c(C)c1 ZINC000144866823 345926040 /nfs/dbraw/zinc/92/60/40/345926040.db2.gz UIUWEEFYULWADN-UHFFFAOYSA-N 0 0 228.295 3.077 10 0 BGAERN O=C1CCC(CCOc2ccccc2)CC1 ZINC000144867158 343140991 /nfs/dbraw/zinc/14/09/91/343140991.db2.gz OSYKHGXOLDXFGA-UHFFFAOYSA-N 0 0 218.296 3.215 10 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356481126 /nfs/dbraw/zinc/48/11/26/356481126.db2.gz YELDSRZWSMAJAM-UHFFFAOYSA-N 0 0 249.672 3.300 10 0 BGAERN COc1ccc2[nH]c(-c3ccccc3N)cc2c1 ZINC000144927009 410536118 /nfs/dbraw/zinc/53/61/18/410536118.db2.gz WRFROASHJBRJES-UHFFFAOYSA-N 0 0 238.290 3.426 10 0 BGAERN COc1ccc2c(c1)oc1c2CCCC1 ZINC000144936806 343144224 /nfs/dbraw/zinc/14/42/24/343144224.db2.gz MTBGXMWOHXOKSK-UHFFFAOYSA-N 0 0 202.253 3.320 10 0 BGAERN CCOC(=O)Nc1ccc2occc2c1 ZINC000144952620 343143488 /nfs/dbraw/zinc/14/34/88/343143488.db2.gz XUONGKDULKTDRX-UHFFFAOYSA-N 0 0 205.213 3.001 10 0 BGAERN CCCCC[N@H+](C)Cc1cc(C)cc(C(=O)[O-])c1 ZINC000144959069 342756281 /nfs/dbraw/zinc/75/62/81/342756281.db2.gz QFOMBVZBSGPCBP-UHFFFAOYSA-N 0 0 249.354 3.315 10 0 BGAERN O=C(Nc1cc2ccccc2cn1)c1ccccc1 ZINC000144965857 342756528 /nfs/dbraw/zinc/75/65/28/342756528.db2.gz LCANZKJFLKOZOY-UHFFFAOYSA-N 0 0 248.285 3.487 10 0 BGAERN CNc1nc(Cl)c(Cl)cc1Cl ZINC000145015422 344983356 /nfs/dbraw/zinc/98/33/56/344983356.db2.gz 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356482273 /nfs/dbraw/zinc/48/22/73/356482273.db2.gz FJFIILMWDCALIS-UHFFFAOYSA-N 0 0 206.028 3.210 10 0 BGAERN CC(C)(C)OC(=O)c1c(Cl)ccnc1Cl ZINC000145498523 344331620 /nfs/dbraw/zinc/33/16/20/344331620.db2.gz DFYHULXZXQOJEP-UHFFFAOYSA-N 0 0 248.109 3.344 10 0 BGAERN COC(=O)c1ccc(C(=O)C2CCCCC2)cc1 ZINC000145502587 342761594 /nfs/dbraw/zinc/76/15/94/342761594.db2.gz IZOQNXRGTWCMKL-UHFFFAOYSA-N 0 0 246.306 3.236 10 0 BGAERN O=C1CCC(CCOc2ccccc2F)CC1 ZINC000145527501 342760806 /nfs/dbraw/zinc/76/08/06/342760806.db2.gz JGEYHNLMAGTYBF-UHFFFAOYSA-N 0 0 236.286 3.354 10 0 BGAERN COC1=NCCCC[C@@H]1C1CCCCC1 ZINC000145547439 344309752 /nfs/dbraw/zinc/30/97/52/344309752.db2.gz CWYMPRMJIFYYJQ-GFCCVEGCSA-N 0 0 209.333 3.412 10 0 BGAERN COC1=NCCCC[C@H]1C1CCCCC1 ZINC000145547638 343195038 /nfs/dbraw/zinc/19/50/38/343195038.db2.gz CWYMPRMJIFYYJQ-LBPRGKRZSA-N 0 0 209.333 3.412 10 0 BGAERN Nc1cc(C(F)(F)F)c(O)cc1C(F)(F)F ZINC000145553830 344309006 /nfs/dbraw/zinc/30/90/06/344309006.db2.gz 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/nfs/dbraw/zinc/44/48/12/385444812.db2.gz OCSSDCRMOKTSQQ-CQSZACIVSA-N 0 0 249.354 3.348 10 0 BGAERN C[C@H](O)c1ccc(SC(C)(C)C)cn1 ZINC000156441613 385453336 /nfs/dbraw/zinc/45/33/36/385453336.db2.gz LMBQFOMDUMTFER-QMMMGPOBSA-N 0 0 211.330 3.026 10 0 BGAERN C[C@@H](O)c1ccc(SC(C)(C)C)cn1 ZINC000156441736 385279407 /nfs/dbraw/zinc/27/94/07/385279407.db2.gz LMBQFOMDUMTFER-MRVPVSSYSA-N 0 0 211.330 3.026 10 0 BGAERN Cc1ccc(CNc2cc(F)ccc2F)cn1 ZINC000156498712 326233824 /nfs/dbraw/zinc/23/38/24/326233824.db2.gz VUVRRHQKTINPKI-UHFFFAOYSA-N 0 0 234.249 3.280 10 0 BGAERN Clc1noc(-c2ccc(Cl)s2)n1 ZINC000156585814 384111071 /nfs/dbraw/zinc/11/10/71/384111071.db2.gz HADVYHOGYVBNDR-UHFFFAOYSA-N 0 0 221.068 3.105 10 0 BGAERN Clc1noc(-c2sccc2Cl)n1 ZINC000156599156 385460122 /nfs/dbraw/zinc/46/01/22/385460122.db2.gz CEUNOAYCBQBUEB-UHFFFAOYSA-N 0 0 221.068 3.105 10 0 BGAERN Oc1cccc(-c2occc2Br)c1 ZINC000156622522 385461782 /nfs/dbraw/zinc/46/17/82/385461782.db2.gz VAIMFLXVNWVAKT-UHFFFAOYSA-N 0 0 239.068 3.415 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)Cl)s1 ZINC000156629824 384157335 /nfs/dbraw/zinc/15/73/35/384157335.db2.gz FOPWEWUXTQGPBC-UHFFFAOYSA-N 0 0 210.632 3.071 10 0 BGAERN O=C(c1ccc(Cl)s1)C(F)(F)Cl ZINC000156632177 384160212 /nfs/dbraw/zinc/16/02/12/384160212.db2.gz MFGSOJZMUCYVID-UHFFFAOYSA-N 0 0 231.050 3.416 10 0 BGAERN Oc1ccc(-c2ccc(Cl)s2)nc1 ZINC000156632720 384160078 /nfs/dbraw/zinc/16/00/78/384160078.db2.gz KYWUNLIQIOLTRE-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN Cc1ccsc1C(=O)C(F)(F)Cl ZINC000156637846 385461683 /nfs/dbraw/zinc/46/16/83/385461683.db2.gz QRZKLYRAPQNRNK-UHFFFAOYSA-N 0 0 210.632 3.071 10 0 BGAERN Cc1cc(C(=O)C(F)(F)Cl)cs1 ZINC000156639062 384161216 /nfs/dbraw/zinc/16/12/16/384161216.db2.gz KDLABWUKTXQEAX-UHFFFAOYSA-N 0 0 210.632 3.071 10 0 BGAERN Oc1ccccc1-c1occc1Br ZINC000156641173 385462762 /nfs/dbraw/zinc/46/27/62/385462762.db2.gz PETWDOCKOKLHSC-UHFFFAOYSA-N 0 0 239.068 3.415 10 0 BGAERN Oc1ccc(-c2occc2Br)cc1 ZINC000156641308 385462795 /nfs/dbraw/zinc/46/27/95/385462795.db2.gz ZUYBKTXQMAJZBQ-UHFFFAOYSA-N 0 0 239.068 3.415 10 0 BGAERN O[C@@H](c1ccc(Cl)s1)C(F)(F)Cl ZINC000156656465 384188119 /nfs/dbraw/zinc/18/81/19/384188119.db2.gz LFCJDZQLDMARPY-YFKPBYRVSA-N 0 0 233.066 3.267 10 0 BGAERN O[C@H](c1ccc(Cl)s1)C(F)(F)Cl ZINC000156656607 384186717 /nfs/dbraw/zinc/18/67/17/384186717.db2.gz LFCJDZQLDMARPY-RXMQYKEDSA-N 0 0 233.066 3.267 10 0 BGAERN CC(C)[C@@H](C)NC(=O)C(C)(C)C1CCCC1 ZINC000156677483 538793703 /nfs/dbraw/zinc/79/37/03/538793703.db2.gz MACQCBKBMKBCAA-LLVKDONJSA-N 0 0 225.376 3.364 10 0 BGAERN CC(C)[C@H](C)NC(=O)C(C)(C)C1CCCC1 ZINC000156677601 538793866 /nfs/dbraw/zinc/79/38/66/538793866.db2.gz MACQCBKBMKBCAA-NSHDSACASA-N 0 0 225.376 3.364 10 0 BGAERN COc1cccc(-c2cccs2)c1O ZINC000156682627 385463824 /nfs/dbraw/zinc/46/38/24/385463824.db2.gz VPGRVFWBNROBDF-UHFFFAOYSA-N 0 0 206.266 3.129 10 0 BGAERN Cc1ccc(-c2cscc2CO)s1 ZINC000156708068 398040351 /nfs/dbraw/zinc/04/03/51/398040351.db2.gz SKQNKXQGRLOLGU-UHFFFAOYSA-N 0 0 210.323 3.277 10 0 BGAERN OCc1cscc1-c1ccc(F)cc1 ZINC000156708367 398040367 /nfs/dbraw/zinc/04/03/67/398040367.db2.gz BXDSLGKXCHBEBA-UHFFFAOYSA-N 0 0 208.257 3.047 10 0 BGAERN C[C@@H](CCC1CCCC1)Nc1cnccn1 ZINC000156795439 388036138 /nfs/dbraw/zinc/03/61/38/388036138.db2.gz RVIIEUQPRHGMPJ-NSHDSACASA-N 0 0 219.332 3.247 10 0 BGAERN C[C@H](CCC1CCCC1)Nc1cnccn1 ZINC000156795577 133473288 /nfs/dbraw/zinc/47/32/88/133473288.db2.gz RVIIEUQPRHGMPJ-LLVKDONJSA-N 0 0 219.332 3.247 10 0 BGAERN Oc1cc(Cc2nccs2)ccc1Cl ZINC000156820139 385468403 /nfs/dbraw/zinc/46/84/03/385468403.db2.gz GBXVEAZCEAVGCE-UHFFFAOYSA-N 0 0 225.700 3.093 10 0 BGAERN Cc1ccc(-c2csc(Br)n2)o1 ZINC000156825812 385471040 /nfs/dbraw/zinc/47/10/40/385471040.db2.gz UFKUFBBJQTXSCB-UHFFFAOYSA-N 0 0 244.113 3.474 10 0 BGAERN CC[C@@H]1CCc2nc(Br)sc2C1 ZINC000156825957 385159908 /nfs/dbraw/zinc/15/99/08/385159908.db2.gz MMJSPJNYJTTWQK-ZCFIWIBFSA-N 0 0 246.173 3.421 10 0 BGAERN CC[C@H]1CCc2nc(Br)sc2C1 ZINC000156826100 385160723 /nfs/dbraw/zinc/16/07/23/385160723.db2.gz MMJSPJNYJTTWQK-LURJTMIESA-N 0 0 246.173 3.421 10 0 BGAERN Cc1sc(Br)nc1C1CC1 ZINC000156827717 384980200 /nfs/dbraw/zinc/98/02/00/384980200.db2.gz PKVJZWCWWHWVQG-UHFFFAOYSA-N 0 0 218.119 3.091 10 0 BGAERN CC(C)[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000156854588 326245136 /nfs/dbraw/zinc/24/51/36/326245136.db2.gz DBXGTNGOIKZSHQ-LLVKDONJSA-N 0 0 225.376 3.364 10 0 BGAERN CC(C)[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC000156854718 326245189 /nfs/dbraw/zinc/24/51/89/326245189.db2.gz DBXGTNGOIKZSHQ-NSHDSACASA-N 0 0 225.376 3.364 10 0 BGAERN Oc1cncc(-c2ccc(Cl)s2)c1 ZINC000156855724 385470391 /nfs/dbraw/zinc/47/03/91/385470391.db2.gz HFXCASPYFMQGKJ-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN Oc1cccnc1-c1ccc(Cl)s1 ZINC000156856607 385471194 /nfs/dbraw/zinc/47/11/94/385471194.db2.gz WJZCFYMGHHLKPJ-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN Cc1cc(-c2ccc(Cl)s2)c[nH]c1=O ZINC000156856760 385470616 /nfs/dbraw/zinc/47/06/16/385470616.db2.gz UKHFUPXUAFWPPZ-UHFFFAOYSA-N 0 0 225.700 3.065 10 0 BGAERN C=COc1ccc(Br)c(C)c1 ZINC000157061257 385482946 /nfs/dbraw/zinc/48/29/46/385482946.db2.gz AMFKFKYFJROPJN-UHFFFAOYSA-N 0 0 213.074 3.280 10 0 BGAERN CCC(=O)Cc1cccc(F)c1Br ZINC000157173481 385489599 /nfs/dbraw/zinc/48/95/99/385489599.db2.gz PGLYLOWMSBUXSG-UHFFFAOYSA-N 0 0 245.091 3.110 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)NC1(C)CCC1 ZINC000157273474 179335907 /nfs/dbraw/zinc/33/59/07/179335907.db2.gz BXDBJCIVPOHICT-LBPRGKRZSA-N 0 0 246.354 3.298 10 0 BGAERN Cc1cccc(N2CC[C@H]3CCCC[C@@H]32)n1 ZINC000157316316 385148112 /nfs/dbraw/zinc/14/81/12/385148112.db2.gz VPUXRXDPIPYXBQ-OLZOCXBDSA-N 0 0 216.328 3.159 10 0 BGAERN C/C(=C/[C@H](C)O)c1ccc(Cl)s1 ZINC000157351671 345197420 /nfs/dbraw/zinc/19/74/20/345197420.db2.gz DTOACACWPTUXSH-RBSILHGTSA-N 0 0 202.706 3.186 10 0 BGAERN C/C(=C/[C@@H](C)O)c1ccc(Cl)s1 ZINC000157351818 345197354 /nfs/dbraw/zinc/19/73/54/345197354.db2.gz DTOACACWPTUXSH-KXTMECRCSA-N 0 0 202.706 3.186 10 0 BGAERN CCc1csc(Cc2nc(C)cs2)n1 ZINC000157400097 345258764 /nfs/dbraw/zinc/25/87/64/345258764.db2.gz FHLUNAXIHQLEFX-UHFFFAOYSA-N 0 0 224.354 3.061 10 0 BGAERN CCc1csc(Cc2cccs2)n1 ZINC000157401355 371549472 /nfs/dbraw/zinc/54/94/72/371549472.db2.gz ZNHGZCHVVGJLPA-UHFFFAOYSA-N 0 0 209.339 3.358 10 0 BGAERN CCC1CCC(NC(=O)C[C@@H](C)SC)CC1 ZINC000157431785 344101937 /nfs/dbraw/zinc/10/19/37/344101937.db2.gz VIKGDAFDBJHELG-VOMCLLRMSA-N 0 0 243.416 3.213 10 0 BGAERN CCC1CCC(NC(=O)C[C@H](C)SC)CC1 ZINC000157431923 344101917 /nfs/dbraw/zinc/10/19/17/344101917.db2.gz VIKGDAFDBJHELG-UNXYVOJBSA-N 0 0 243.416 3.213 10 0 BGAERN Cc1ccc(F)c2nccc(Br)c12 ZINC000157470031 344111102 /nfs/dbraw/zinc/11/11/02/344111102.db2.gz WQMORVOPCWWACA-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc(F)c2nccc(Br)c2c1 ZINC000157478260 344117478 /nfs/dbraw/zinc/11/74/78/344117478.db2.gz YXBPVNGPIVKDSR-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc(F)cc2nccc(Br)c12 ZINC000157488798 342713848 /nfs/dbraw/zinc/71/38/48/342713848.db2.gz JRHDYACBAMVTCG-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc2c(Br)ccnc2cc1F ZINC000157499774 342734497 /nfs/dbraw/zinc/73/44/97/342734497.db2.gz NLBWKDDYUKNCRR-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cccc(N2CCC[C@@H]2c2ccco2)n1 ZINC000157595146 385221449 /nfs/dbraw/zinc/22/14/49/385221449.db2.gz KFHSIFKLTUQSAO-GFCCVEGCSA-N 0 0 228.295 3.325 10 0 BGAERN Cc1cccc(N2CCC[C@H]2c2ccco2)n1 ZINC000157595294 385221388 /nfs/dbraw/zinc/22/13/88/385221388.db2.gz KFHSIFKLTUQSAO-LBPRGKRZSA-N 0 0 228.295 3.325 10 0 BGAERN O[C@@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000157641555 345272679 /nfs/dbraw/zinc/27/26/79/345272679.db2.gz NFJSDYFAVFPKCL-QMMMGPOBSA-N 0 0 241.064 3.162 10 0 BGAERN O[C@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000157641702 342810425 /nfs/dbraw/zinc/81/04/25/342810425.db2.gz NFJSDYFAVFPKCL-MRVPVSSYSA-N 0 0 241.064 3.162 10 0 BGAERN Cc1ccoc1C(=O)CC1CCSCC1 ZINC000157644050 342810548 /nfs/dbraw/zinc/81/05/48/342810548.db2.gz CAFKKEWQBRUIAJ-UHFFFAOYSA-N 0 0 224.325 3.304 10 0 BGAERN O[C@@H](Cc1c(Cl)cccc1Cl)C(F)F ZINC000157644390 342810710 /nfs/dbraw/zinc/81/07/10/342810710.db2.gz PYAMOSIXRCWZLD-QMMMGPOBSA-N 0 0 241.064 3.162 10 0 BGAERN O[C@H](Cc1c(Cl)cccc1Cl)C(F)F ZINC000157644523 342810537 /nfs/dbraw/zinc/81/05/37/342810537.db2.gz PYAMOSIXRCWZLD-MRVPVSSYSA-N 0 0 241.064 3.162 10 0 BGAERN O[C@@H](Cc1ccc(Cl)c(Cl)c1)C(F)F ZINC000157644673 342810684 /nfs/dbraw/zinc/81/06/84/342810684.db2.gz AHRARDSLEZCDMI-QMMMGPOBSA-N 0 0 241.064 3.162 10 0 BGAERN O[C@H](Cc1ccc(Cl)c(Cl)c1)C(F)F ZINC000157644813 342810625 /nfs/dbraw/zinc/81/06/25/342810625.db2.gz AHRARDSLEZCDMI-MRVPVSSYSA-N 0 0 241.064 3.162 10 0 BGAERN O=C(CC1CCSCC1)C1CCCC1 ZINC000157645710 342810616 /nfs/dbraw/zinc/81/06/16/342810616.db2.gz OXTJVLZGMXCPGH-UHFFFAOYSA-N 0 0 212.358 3.279 10 0 BGAERN Cc1ccc(C(=O)CC2CCSCC2)o1 ZINC000157646888 342811116 /nfs/dbraw/zinc/81/11/16/342811116.db2.gz VQNZYVODASRGLT-UHFFFAOYSA-N 0 0 224.325 3.304 10 0 BGAERN CC[C@H](Nc1cccc(C)n1)c1ccncc1 ZINC000157697645 398340578 /nfs/dbraw/zinc/34/05/78/398340578.db2.gz IRWNMCWFYRRNRS-ZDUSSCGKSA-N 0 0 227.311 3.348 10 0 BGAERN CC[C@@H](Nc1cccc(C)n1)c1ccncc1 ZINC000157697802 398340555 /nfs/dbraw/zinc/34/05/55/398340555.db2.gz IRWNMCWFYRRNRS-CYBMUJFWSA-N 0 0 227.311 3.348 10 0 BGAERN Cc1cccc(N[C@@H](c2nccs2)C2CC2)n1 ZINC000157722763 385268281 /nfs/dbraw/zinc/26/82/81/385268281.db2.gz SSLORQWVUDDGQL-GFCCVEGCSA-N 0 0 245.351 3.410 10 0 BGAERN Cc1cccc(N[C@H](c2nccs2)C2CC2)n1 ZINC000157722902 385266668 /nfs/dbraw/zinc/26/66/68/385266668.db2.gz SSLORQWVUDDGQL-LBPRGKRZSA-N 0 0 245.351 3.410 10 0 BGAERN Cc1cccc(-c2nnc(Cl)o2)c1Cl ZINC000157743065 342880029 /nfs/dbraw/zinc/88/00/29/342880029.db2.gz LSFHBJVQVJUVBP-UHFFFAOYSA-N 0 0 229.066 3.352 10 0 BGAERN FC1(F)CCC(c2nnc(Cl)o2)CC1 ZINC000157743376 342880050 /nfs/dbraw/zinc/88/00/50/342880050.db2.gz LFYYKOCJGUHTNU-UHFFFAOYSA-N 0 0 222.622 3.016 10 0 BGAERN COc1cc(Cl)ccc1-c1nnc(Cl)o1 ZINC000157746017 342886523 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344685388 /nfs/dbraw/zinc/68/53/88/344685388.db2.gz CJHBCRRPCSJWNM-UHFFFAOYSA-N 0 0 200.669 3.161 10 0 BGAERN Clc1noc(CSc2ccccc2)n1 ZINC000158584505 344685435 /nfs/dbraw/zinc/68/54/35/344685435.db2.gz YAJOPTFWEJVBNS-UHFFFAOYSA-N 0 0 226.688 3.015 10 0 BGAERN Cc1cc(Cl)cc(-c2nc(Cl)no2)c1 ZINC000158585042 344684821 /nfs/dbraw/zinc/68/48/21/344684821.db2.gz XUAOSELPJIHCEI-UHFFFAOYSA-N 0 0 229.066 3.352 10 0 BGAERN CC1CCC(c2nc(Cl)no2)CC1 ZINC000158587158 344685445 /nfs/dbraw/zinc/68/54/45/344685445.db2.gz RLPUXVDRCSLKAH-UHFFFAOYSA-N 0 0 200.669 3.017 10 0 BGAERN Cc1ccc(C)c(-c2nc(Cl)no2)c1 ZINC000158588805 344685477 /nfs/dbraw/zinc/68/54/77/344685477.db2.gz BRWBEAWXLZXGER-UHFFFAOYSA-N 0 0 208.648 3.007 10 0 BGAERN CSc1ccccc1-c1nc(Cl)no1 ZINC000158590465 344686362 /nfs/dbraw/zinc/68/63/62/344686362.db2.gz JCLYJCXUPSGMQD-UHFFFAOYSA-N 0 0 226.688 3.112 10 0 BGAERN Cc1ccc(Cl)cc1-c1nc(Cl)no1 ZINC000158591195 344689638 /nfs/dbraw/zinc/68/96/38/344689638.db2.gz WTNIIWNMAAYJBW-UHFFFAOYSA-N 0 0 229.066 3.352 10 0 BGAERN Clc1noc(CCC2CCCCC2)n1 ZINC000158592052 346399701 /nfs/dbraw/zinc/39/97/01/346399701.db2.gz WUTGHFWQPYXBNK-UHFFFAOYSA-N 0 0 214.696 3.236 10 0 BGAERN CCc1ccc(-c2nc(Cl)no2)s1 ZINC000158592199 344689530 /nfs/dbraw/zinc/68/95/30/344689530.db2.gz ZNYCDTRKMVVBRC-UHFFFAOYSA-N 0 0 214.677 3.014 10 0 BGAERN Fc1ccc(-c2nc(Cl)no2)c(Cl)c1 ZINC000158594443 344689744 /nfs/dbraw/zinc/68/97/44/344689744.db2.gz WNJDJQAHIOIHKW-UHFFFAOYSA-N 0 0 233.029 3.183 10 0 BGAERN Cc1cc(-c2nc(Cl)no2)sc1C ZINC000158596316 344689731 /nfs/dbraw/zinc/68/97/31/344689731.db2.gz BGGHAHSKQKJYLA-UHFFFAOYSA-N 0 0 214.677 3.068 10 0 BGAERN CCc1ccsc1-c1nc(Cl)no1 ZINC000158598867 344687569 /nfs/dbraw/zinc/68/75/69/344687569.db2.gz JEIYDINEAYXBOC-UHFFFAOYSA-N 0 0 214.677 3.014 10 0 BGAERN Cc1ccc(-c2nc(Cl)no2)cc1Cl ZINC000158601892 344692661 /nfs/dbraw/zinc/69/26/61/344692661.db2.gz IZQRRWBWCCFHJZ-UHFFFAOYSA-N 0 0 229.066 3.352 10 0 BGAERN FC1(F)CCC(c2nc(Cl)no2)CC1 ZINC000158603019 346399552 /nfs/dbraw/zinc/39/95/52/346399552.db2.gz FINTWPAKLIVKPT-UHFFFAOYSA-N 0 0 222.622 3.016 10 0 BGAERN Fc1ccc(-c2nc(Cl)no2)cc1Cl ZINC000158603179 344693083 /nfs/dbraw/zinc/69/30/83/344693083.db2.gz MBJZCCZSWFJJOA-UHFFFAOYSA-N 0 0 233.029 3.183 10 0 BGAERN O=Cc1ccc(Cl)cc1-c1ccccn1 ZINC000158631905 346399295 /nfs/dbraw/zinc/39/92/95/346399295.db2.gz QGESGWSYXKETQO-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN O=C(c1cc(Cl)ccc1Cl)C(F)F ZINC000158641140 344706907 /nfs/dbraw/zinc/70/69/07/344706907.db2.gz FJMHQBJKZUUATQ-UHFFFAOYSA-N 0 0 225.021 3.441 10 0 BGAERN O=C(c1cccc(Cl)c1Cl)C(F)F ZINC000158648221 344706105 /nfs/dbraw/zinc/70/61/05/344706105.db2.gz BTICSRBYQFPNJG-UHFFFAOYSA-N 0 0 225.021 3.441 10 0 BGAERN C[C@@H]1CCC[C@H](C(=O)C(F)(F)Cl)C1 ZINC000158663083 344712328 /nfs/dbraw/zinc/71/23/28/344712328.db2.gz UORMOKPSCZWCDY-RQJHMYQMSA-N 0 0 210.651 3.213 10 0 BGAERN C[C@H]1CCC[C@H](C(=O)C(F)(F)Cl)C1 ZINC000158663200 344712062 /nfs/dbraw/zinc/71/20/62/344712062.db2.gz UORMOKPSCZWCDY-BQBZGAKWSA-N 0 0 210.651 3.213 10 0 BGAERN C[C@@H]1CCC[C@@H](C(=O)C(F)(F)Cl)C1 ZINC000158663329 344712186 /nfs/dbraw/zinc/71/21/86/344712186.db2.gz UORMOKPSCZWCDY-RNFRBKRXSA-N 0 0 210.651 3.213 10 0 BGAERN C[C@H]1CCC[C@@H](C(=O)C(F)(F)Cl)C1 ZINC000158663480 344712370 /nfs/dbraw/zinc/71/23/70/344712370.db2.gz UORMOKPSCZWCDY-NKWVEPMBSA-N 0 0 210.651 3.213 10 0 BGAERN CCc1cccc(C(=O)C(F)(F)Cl)c1 ZINC000158666163 344712836 /nfs/dbraw/zinc/71/28/36/344712836.db2.gz DGHBBXKMJIXNEV-UHFFFAOYSA-N 0 0 218.630 3.263 10 0 BGAERN O=C(c1ccc(Cl)cc1F)C(F)(F)Cl ZINC000158677755 344716002 /nfs/dbraw/zinc/71/60/02/344716002.db2.gz WGTZNMCHYUNFSW-UHFFFAOYSA-N 0 0 243.011 3.493 10 0 BGAERN O=C(C1CCCCCC1)C(F)(F)Cl ZINC000158678192 344716568 /nfs/dbraw/zinc/71/65/68/344716568.db2.gz HFKQNUBKGYGQNJ-UHFFFAOYSA-N 0 0 210.651 3.358 10 0 BGAERN O=C(Cc1cccc(Cl)c1)C(F)(F)Cl ZINC000158678342 344716646 /nfs/dbraw/zinc/71/66/46/344716646.db2.gz TUUIGBSAENTYTJ-UHFFFAOYSA-N 0 0 239.048 3.283 10 0 BGAERN O=C(c1ccccc1Cl)C(F)(F)Cl ZINC000158678807 344716514 /nfs/dbraw/zinc/71/65/14/344716514.db2.gz PBHIDALTUFEDGR-UHFFFAOYSA-N 0 0 225.021 3.354 10 0 BGAERN CC1CCC(C(=O)C(F)(F)Cl)CC1 ZINC000158681372 344721421 /nfs/dbraw/zinc/72/14/21/344721421.db2.gz HIZVUBGACRFEKQ-UHFFFAOYSA-N 0 0 210.651 3.213 10 0 BGAERN O=C(Cc1ccccc1Cl)C(F)(F)Cl ZINC000158683388 344721210 /nfs/dbraw/zinc/72/12/10/344721210.db2.gz YFHMXOUUDSVCQV-UHFFFAOYSA-N 0 0 239.048 3.283 10 0 BGAERN O=C(CC1CCCCC1)C(F)(F)Cl ZINC000158684127 344721275 /nfs/dbraw/zinc/72/12/75/344721275.db2.gz NRLBIKWJDDXBTF-UHFFFAOYSA-N 0 0 210.651 3.358 10 0 BGAERN O=C(Cc1ccc(Cl)s1)C(F)(F)Cl ZINC000158685552 346399899 /nfs/dbraw/zinc/39/98/99/346399899.db2.gz UVIDIQLBVTVQCO-UHFFFAOYSA-N 0 0 245.077 3.345 10 0 BGAERN Cc1ccc(F)c(C(=O)C(F)(F)Cl)c1 ZINC000158685809 344721387 /nfs/dbraw/zinc/72/13/87/344721387.db2.gz JEOBWKIPACIWOR-UHFFFAOYSA-N 0 0 222.593 3.148 10 0 BGAERN O[C@@H](C1CCCCCC1)C(F)(F)Cl ZINC000158691607 344725049 /nfs/dbraw/zinc/72/50/49/344725049.db2.gz BNTFCHHSMYXDPG-QMMMGPOBSA-N 0 0 212.667 3.149 10 0 BGAERN O[C@H](C1CCCCCC1)C(F)(F)Cl ZINC000158691753 344724969 /nfs/dbraw/zinc/72/49/69/344724969.db2.gz BNTFCHHSMYXDPG-MRVPVSSYSA-N 0 0 212.667 3.149 10 0 BGAERN O[C@@H](c1ccccc1Cl)C(F)(F)Cl ZINC000158692479 344724878 /nfs/dbraw/zinc/72/48/78/344724878.db2.gz RNWQJGIXWCJLPG-ZETCQYMHSA-N 0 0 227.037 3.205 10 0 BGAERN O[C@H](c1ccccc1Cl)C(F)(F)Cl ZINC000158692618 344724971 /nfs/dbraw/zinc/72/49/71/344724971.db2.gz RNWQJGIXWCJLPG-SSDOTTSWSA-N 0 0 227.037 3.205 10 0 BGAERN O[C@@H](Cc1cccc(Cl)c1)C(F)(F)Cl ZINC000158696493 344725578 /nfs/dbraw/zinc/72/55/78/344725578.db2.gz CHJUGJDAVHQEIH-QMMMGPOBSA-N 0 0 241.064 3.075 10 0 BGAERN O[C@H](Cc1cccc(Cl)c1)C(F)(F)Cl ZINC000158696621 344725491 /nfs/dbraw/zinc/72/54/91/344725491.db2.gz CHJUGJDAVHQEIH-MRVPVSSYSA-N 0 0 241.064 3.075 10 0 BGAERN Cc1cc(C)cc([C@H](O)C(F)(F)Cl)c1 ZINC000158697399 344725634 /nfs/dbraw/zinc/72/56/34/344725634.db2.gz IRDPLIANZBXKNK-VIFPVBQESA-N 0 0 220.646 3.168 10 0 BGAERN Cc1cc(C)cc([C@@H](O)C(F)(F)Cl)c1 ZINC000158697541 346399955 /nfs/dbraw/zinc/39/99/55/346399955.db2.gz IRDPLIANZBXKNK-SECBINFHSA-N 0 0 220.646 3.168 10 0 BGAERN Cc1ccc([C@H](O)C(F)(F)Cl)cc1C ZINC000158706596 344728349 /nfs/dbraw/zinc/72/83/49/344728349.db2.gz GLMMZGAGTQKBMJ-VIFPVBQESA-N 0 0 220.646 3.168 10 0 BGAERN Cc1ccc([C@@H](O)C(F)(F)Cl)cc1C ZINC000158706707 344728374 /nfs/dbraw/zinc/72/83/74/344728374.db2.gz GLMMZGAGTQKBMJ-SECBINFHSA-N 0 0 220.646 3.168 10 0 BGAERN O[C@@H](Cc1ccccc1Cl)C(F)(F)Cl ZINC000158708864 344728436 /nfs/dbraw/zinc/72/84/36/344728436.db2.gz HVRWAEXRQMOILA-QMMMGPOBSA-N 0 0 241.064 3.075 10 0 BGAERN O[C@H](Cc1ccccc1Cl)C(F)(F)Cl ZINC000158708945 344728647 /nfs/dbraw/zinc/72/86/47/344728647.db2.gz HVRWAEXRQMOILA-MRVPVSSYSA-N 0 0 241.064 3.075 10 0 BGAERN O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)Cl ZINC000158711510 344730472 /nfs/dbraw/zinc/73/04/72/344730472.db2.gz UTCCXMBYEXWCDD-QMMMGPOBSA-N 0 0 241.064 3.075 10 0 BGAERN O[C@H](Cc1ccc(Cl)cc1)C(F)(F)Cl ZINC000158711616 344730442 /nfs/dbraw/zinc/73/04/42/344730442.db2.gz UTCCXMBYEXWCDD-MRVPVSSYSA-N 0 0 241.064 3.075 10 0 BGAERN O[C@@H](c1cccc(Cl)c1)C(F)(F)Cl ZINC000158712626 344730050 /nfs/dbraw/zinc/73/00/50/344730050.db2.gz KBTSSJHYSMFEPY-ZETCQYMHSA-N 0 0 227.037 3.205 10 0 BGAERN O[C@H](c1cccc(Cl)c1)C(F)(F)Cl ZINC000158712780 344730018 /nfs/dbraw/zinc/73/00/18/344730018.db2.gz KBTSSJHYSMFEPY-SSDOTTSWSA-N 0 0 227.037 3.205 10 0 BGAERN CCc1ccc([C@H](O)C(F)(F)Cl)cc1 ZINC000158712922 344729694 /nfs/dbraw/zinc/72/96/94/344729694.db2.gz AFTXMNBBMLJFMG-VIFPVBQESA-N 0 0 220.646 3.114 10 0 BGAERN CCc1ccc([C@@H](O)C(F)(F)Cl)cc1 ZINC000158713054 344729971 /nfs/dbraw/zinc/72/99/71/344729971.db2.gz AFTXMNBBMLJFMG-SECBINFHSA-N 0 0 220.646 3.114 10 0 BGAERN O[C@@H](CC1CCCCC1)C(F)(F)Cl ZINC000158713204 344729669 /nfs/dbraw/zinc/72/96/69/344729669.db2.gz YIZRUJWNQNYJRP-QMMMGPOBSA-N 0 0 212.667 3.149 10 0 BGAERN O[C@H](CC1CCCCC1)C(F)(F)Cl ZINC000158713345 344730032 /nfs/dbraw/zinc/73/00/32/344730032.db2.gz YIZRUJWNQNYJRP-MRVPVSSYSA-N 0 0 212.667 3.149 10 0 BGAERN Cc1ccc([C@H](O)C(F)(F)Cl)c(C)c1 ZINC000158714041 344731701 /nfs/dbraw/zinc/73/17/01/344731701.db2.gz RJGOZXSAHPLYKM-VIFPVBQESA-N 0 0 220.646 3.168 10 0 BGAERN Cc1ccc([C@@H](O)C(F)(F)Cl)c(C)c1 ZINC000158714193 344731910 /nfs/dbraw/zinc/73/19/10/344731910.db2.gz RJGOZXSAHPLYKM-SECBINFHSA-N 0 0 220.646 3.168 10 0 BGAERN O[C@@H](c1ccc(Cl)cc1)C(F)(F)Cl ZINC000158721718 344732621 /nfs/dbraw/zinc/73/26/21/344732621.db2.gz AMHBMKDLFDDRPE-ZETCQYMHSA-N 0 0 227.037 3.205 10 0 BGAERN O[C@H](c1ccc(Cl)cc1)C(F)(F)Cl ZINC000158721852 344732434 /nfs/dbraw/zinc/73/24/34/344732434.db2.gz AMHBMKDLFDDRPE-SSDOTTSWSA-N 0 0 227.037 3.205 10 0 BGAERN CC1CCC([C@H](O)C(F)(F)Cl)CC1 ZINC000158723717 344733107 /nfs/dbraw/zinc/73/31/07/344733107.db2.gz LHEZMTGLOOKCNL-RRQHEKLDSA-N 0 0 212.667 3.005 10 0 BGAERN CC1CCC([C@@H](O)C(F)(F)Cl)CC1 ZINC000158723855 344733020 /nfs/dbraw/zinc/73/30/20/344733020.db2.gz LHEZMTGLOOKCNL-KAVNDROISA-N 0 0 212.667 3.005 10 0 BGAERN CCN(CC)c1cc(Cl)c(N)cc1C ZINC000158730615 344733931 /nfs/dbraw/zinc/73/39/31/344733931.db2.gz MZNYOHVLYJXHQL-UHFFFAOYSA-N 0 0 212.724 3.077 10 0 BGAERN CC[C@@H](C)Nc1cc(Cl)c(N)cc1C ZINC000158732303 344734540 /nfs/dbraw/zinc/73/45/40/344734540.db2.gz XEZPRDUVWMSXRP-MRVPVSSYSA-N 0 0 212.724 3.441 10 0 BGAERN CC[C@H](C)Nc1cc(Cl)c(N)cc1C ZINC000158732444 344734660 /nfs/dbraw/zinc/73/46/60/344734660.db2.gz XEZPRDUVWMSXRP-QMMMGPOBSA-N 0 0 212.724 3.441 10 0 BGAERN O[C@@H](c1cccc2ccsc21)C(F)F ZINC000158734273 344734323 /nfs/dbraw/zinc/73/43/23/344734323.db2.gz LIOCKNALIRLKQQ-QMMMGPOBSA-N 0 0 214.236 3.200 10 0 BGAERN O[C@H](c1cccc2ccsc21)C(F)F ZINC000158734402 344734657 /nfs/dbraw/zinc/73/46/57/344734657.db2.gz LIOCKNALIRLKQQ-MRVPVSSYSA-N 0 0 214.236 3.200 10 0 BGAERN CC[C@@H](C)n1ncc2c1nccc2Cl ZINC000158751640 344738949 /nfs/dbraw/zinc/73/89/49/344738949.db2.gz KVSLPERPKBOLBP-SSDOTTSWSA-N 0 0 209.680 3.056 10 0 BGAERN CC[C@H](C)n1ncc2c1nccc2Cl ZINC000158751759 344739050 /nfs/dbraw/zinc/73/90/50/344739050.db2.gz KVSLPERPKBOLBP-ZETCQYMHSA-N 0 0 209.680 3.056 10 0 BGAERN COc1ccc(CC[C@]2(O)C[C@H]3CC[C@@H]2C3)cc1 ZINC000158804664 175093389 /nfs/dbraw/zinc/09/33/89/175093389.db2.gz ODRVSJZSIIIUTP-LZWOXQAQSA-N 0 0 246.350 3.179 10 0 BGAERN COc1ccc(CC[C@@]2(O)C[C@H]3CC[C@@H]2C3)cc1 ZINC000158804795 175094034 /nfs/dbraw/zinc/09/40/34/175094034.db2.gz ODRVSJZSIIIUTP-SQWLQELKSA-N 0 0 246.350 3.179 10 0 BGAERN Cc1sc(Cl)nc1-c1ccc(F)cn1 ZINC000158813112 345508549 /nfs/dbraw/zinc/50/85/49/345508549.db2.gz KMLUZEZYVCRJGM-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN CN[C@H](C)c1nc(C2CCCCCCC2)no1 ZINC000158836813 641652349 /nfs/dbraw/zinc/65/23/49/641652349.db2.gz HXXOEZWVDMBWOJ-SNVBAGLBSA-N 0 0 237.347 3.178 10 0 BGAERN CCC(C)(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000158858153 641655474 /nfs/dbraw/zinc/65/54/74/641655474.db2.gz CMFLPYSGUNWEAM-GFCCVEGCSA-N 0 0 247.338 3.063 10 0 BGAERN CCC(C)(CC)C(=O)N[C@H]1COc2ccccc21 ZINC000158858278 641655046 /nfs/dbraw/zinc/65/50/46/641655046.db2.gz CMFLPYSGUNWEAM-LBPRGKRZSA-N 0 0 247.338 3.063 10 0 BGAERN O[C@@]1(CCc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000158886744 183216609 /nfs/dbraw/zinc/21/66/09/183216609.db2.gz BTKYKOSTDGHMCV-ZNMIVQPWSA-N 0 0 216.324 3.170 10 0 BGAERN O[C@]1(CCc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000158886847 183250459 /nfs/dbraw/zinc/25/04/59/183250459.db2.gz BTKYKOSTDGHMCV-RRFJBIMHSA-N 0 0 216.324 3.170 10 0 BGAERN CSc1ccc(OC(=O)C2(C)CC2)cc1 ZINC000158896833 641656893 /nfs/dbraw/zinc/65/68/93/641656893.db2.gz PEVVCQLHMAWMQC-UHFFFAOYSA-N 0 0 222.309 3.114 10 0 BGAERN O[C@@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1C2 ZINC000158932073 183218065 /nfs/dbraw/zinc/21/80/65/183218065.db2.gz HUVSYHPNEQTRKM-UFGOTCBOSA-N 0 0 222.715 3.348 10 0 BGAERN O[C@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1C2 ZINC000158932223 183251651 /nfs/dbraw/zinc/25/16/51/183251651.db2.gz HUVSYHPNEQTRKM-NDMJEZRESA-N 0 0 222.715 3.348 10 0 BGAERN Cc1cc(OCc2ccccc2)c(F)cc1N ZINC000158967542 346862690 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Cc1nsc(Sc2nc(Cl)cs2)n1 ZINC000165276997 342895522 /nfs/dbraw/zinc/89/55/22/342895522.db2.gz KJPAPCOBGGMJCB-UHFFFAOYSA-N 0 0 249.773 3.108 10 0 BGAERN O=Cc1cccc(Cl)c1OC1CCCC1 ZINC000165277814 342895568 /nfs/dbraw/zinc/89/55/68/342895568.db2.gz FCIUAYXVIWCCJJ-UHFFFAOYSA-N 0 0 224.687 3.474 10 0 BGAERN CC(C)Oc1ccc2c(c1)CCOC2(C)C ZINC000165282928 343555570 /nfs/dbraw/zinc/55/55/70/343555570.db2.gz CWFDASIMQYLPJK-UHFFFAOYSA-N 0 0 220.312 3.282 10 0 BGAERN COc1cc2nc(Cl)sc2cc1F ZINC000165286594 343555439 /nfs/dbraw/zinc/55/54/39/343555439.db2.gz YFOKOXIRXBOQGF-UHFFFAOYSA-N 0 0 217.652 3.097 10 0 BGAERN C[C@H](Nc1ccc2c(c1)CCO2)c1cncs1 ZINC000165288364 385097474 /nfs/dbraw/zinc/09/74/74/385097474.db2.gz AAUBYSXNHSASOC-VIFPVBQESA-N 0 0 246.335 3.251 10 0 BGAERN C[C@@H](Nc1ccc2c(c1)CCO2)c1cncs1 ZINC000165288482 175931949 /nfs/dbraw/zinc/93/19/49/175931949.db2.gz AAUBYSXNHSASOC-SECBINFHSA-N 0 0 246.335 3.251 10 0 BGAERN O=C1CCC(c2cc(F)c(F)c(F)c2)CC1 ZINC000165321735 397750622 /nfs/dbraw/zinc/75/06/22/397750622.db2.gz OTWYGOFXXZVJAK-UHFFFAOYSA-N 0 0 228.213 3.331 10 0 BGAERN Cc1cc2c(N)cc(C(F)(F)F)cc2cn1 ZINC000165344645 178280228 /nfs/dbraw/zinc/28/02/28/178280228.db2.gz AANJTXFDYHKCPL-UHFFFAOYSA-N 0 0 226.201 3.144 10 0 BGAERN Oc1ccccc1Oc1nc(Cl)cs1 ZINC000165349647 342920370 /nfs/dbraw/zinc/92/03/70/342920370.db2.gz HIHVZDRNOPNVAG-UHFFFAOYSA-N 0 0 227.672 3.294 10 0 BGAERN Oc1cccc(Oc2nc(Cl)cs2)c1 ZINC000165349771 342920379 /nfs/dbraw/zinc/92/03/79/342920379.db2.gz KVQJZSSBLBZXHO-UHFFFAOYSA-N 0 0 227.672 3.294 10 0 BGAERN Nc1cccc(Oc2nc(Cl)cs2)c1 ZINC000165350955 346648597 /nfs/dbraw/zinc/64/85/97/346648597.db2.gz YMQIHUZUGNFREO-UHFFFAOYSA-N 0 0 226.688 3.171 10 0 BGAERN CC(C)(C)Cc1ccc2c(c1)[C@](C)(O)CCO2 ZINC000165355038 343139674 /nfs/dbraw/zinc/13/96/74/343139674.db2.gz ZWFXRDNHLBFGOX-OAHLLOKOSA-N 0 0 234.339 3.265 10 0 BGAERN CC(C)(C)Cc1ccc2c(c1)[C@@](C)(O)CCO2 ZINC000165355167 343139797 /nfs/dbraw/zinc/13/97/97/343139797.db2.gz ZWFXRDNHLBFGOX-HNNXBMFYSA-N 0 0 234.339 3.265 10 0 BGAERN Nc1cc2ccnc(Cl)c2cc1Cl ZINC000165373811 385115152 /nfs/dbraw/zinc/11/51/52/385115152.db2.gz DITMKVFIDWAGEN-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN CCOC(=O)c1ccc(CC(C)C)c(OC)c1 ZINC000165401512 343141853 /nfs/dbraw/zinc/14/18/53/343141853.db2.gz OCFFAHJIMALWKH-UHFFFAOYSA-N 0 0 236.311 3.070 10 0 BGAERN OCc1ccc(C(F)(F)F)c(C2CC2)c1 ZINC000165401795 343141910 /nfs/dbraw/zinc/14/19/10/343141910.db2.gz ZJYRNMLORVSSBL-UHFFFAOYSA-N 0 0 216.202 3.075 10 0 BGAERN Cc1cccc2c(=O)c(-c3ccccc3)n[nH]c12 ZINC000165413938 343142437 /nfs/dbraw/zinc/14/24/37/343142437.db2.gz DPPAPCFZKKOKPA-UHFFFAOYSA-N 0 0 236.274 3.311 10 0 BGAERN CCc1ccc(CCc2ccccc2N)nc1 ZINC000165424106 343143352 /nfs/dbraw/zinc/14/33/52/343143352.db2.gz VRUIQCDLIULBIX-UHFFFAOYSA-N 0 0 226.323 3.011 10 0 BGAERN CCC(CC)C(=O)c1ccc(OC)cc1OC ZINC000165427511 343313914 /nfs/dbraw/zinc/31/39/14/343313914.db2.gz XJINPOVTVSPOJX-UHFFFAOYSA-N 0 0 236.311 3.323 10 0 BGAERN CCC[C@@H](C)C(=O)c1ccc(OC)cc1OC ZINC000165428044 343314406 /nfs/dbraw/zinc/31/44/06/343314406.db2.gz UIIULDCTLGAGKM-SNVBAGLBSA-N 0 0 236.311 3.323 10 0 BGAERN CCC[C@H](C)C(=O)c1ccc(OC)cc1OC ZINC000165428163 343314307 /nfs/dbraw/zinc/31/43/07/343314307.db2.gz UIIULDCTLGAGKM-JTQLQIEISA-N 0 0 236.311 3.323 10 0 BGAERN CCC(C)(C)C(=O)c1ccc(OC)cc1OC ZINC000165435314 343332203 /nfs/dbraw/zinc/33/22/03/343332203.db2.gz RMWAJCKMAVRYIA-UHFFFAOYSA-N 0 0 236.311 3.323 10 0 BGAERN O=C1CC2(CCCCC2)Oc2cc(F)ccc21 ZINC000165469102 343211168 /nfs/dbraw/zinc/21/11/68/343211168.db2.gz GBSNABGHPBQSAS-UHFFFAOYSA-N 0 0 234.270 3.494 10 0 BGAERN Cc1cc2c(ccnc2N[C@@H](C)C2CC2)o1 ZINC000165489855 361841654 /nfs/dbraw/zinc/84/16/54/361841654.db2.gz QTFWAGQUMWRXAV-VIFPVBQESA-N 0 0 216.284 3.347 10 0 BGAERN Cc1cc2c(ccnc2N[C@H](C)C2CC2)o1 ZINC000165489993 133660953 /nfs/dbraw/zinc/66/09/53/133660953.db2.gz QTFWAGQUMWRXAV-SECBINFHSA-N 0 0 216.284 3.347 10 0 BGAERN CC[C@@H]1C[C@]1(O)c1cccc(F)c1Cl ZINC000165494254 343483256 /nfs/dbraw/zinc/48/32/56/343483256.db2.gz MJMZBPCZHXCGEX-RDDDGLTNSA-N 0 0 214.667 3.097 10 0 BGAERN CC[C@H]1C[C@]1(O)c1cccc(F)c1Cl ZINC000165494372 343483227 /nfs/dbraw/zinc/48/32/27/343483227.db2.gz MJMZBPCZHXCGEX-WRWORJQWSA-N 0 0 214.667 3.097 10 0 BGAERN CC[C@@H]1C[C@@]1(O)c1cccc(F)c1Cl ZINC000165494499 343483204 /nfs/dbraw/zinc/48/32/04/343483204.db2.gz MJMZBPCZHXCGEX-HQJQHLMTSA-N 0 0 214.667 3.097 10 0 BGAERN CC[C@H]1C[C@@]1(O)c1cccc(F)c1Cl ZINC000165494625 343483354 /nfs/dbraw/zinc/48/33/54/343483354.db2.gz MJMZBPCZHXCGEX-CPCISQLKSA-N 0 0 214.667 3.097 10 0 BGAERN Cc1cc(Oc2ccccc2)ccc1NN ZINC000165501119 343157739 /nfs/dbraw/zinc/15/77/39/343157739.db2.gz SFQZXAVPAVKABM-UHFFFAOYSA-N 0 0 214.268 3.073 10 0 BGAERN C[C@H](Nc1ccc(N(C)C)cc1)c1cncs1 ZINC000165512491 385137685 /nfs/dbraw/zinc/13/76/85/385137685.db2.gz XRHMPRLVAIATDP-JTQLQIEISA-N 0 0 247.367 3.382 10 0 BGAERN C[C@@H](Nc1ccc(N(C)C)cc1)c1cncs1 ZINC000165512608 385139673 /nfs/dbraw/zinc/13/96/73/385139673.db2.gz XRHMPRLVAIATDP-SNVBAGLBSA-N 0 0 247.367 3.382 10 0 BGAERN CCc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000165522445 343631516 /nfs/dbraw/zinc/63/15/16/343631516.db2.gz ZDHXMBYBVNLTAP-UHFFFAOYSA-N 0 0 220.055 3.464 10 0 BGAERN COC(=O)c1c(Cl)cc(C)cc1Cl ZINC000165529143 343634574 /nfs/dbraw/zinc/63/45/74/343634574.db2.gz ZHLLGKAPKAQWJK-UHFFFAOYSA-N 0 0 219.067 3.088 10 0 BGAERN CC(C)CCCN1CCCc2c(N)cccc21 ZINC000165538735 203385955 /nfs/dbraw/zinc/38/59/55/203385955.db2.gz GSSPCMATIJGMSU-UHFFFAOYSA-N 0 0 232.371 3.458 10 0 BGAERN COC(=O)c1cc(Cl)cc(C)c1Cl ZINC000165550687 385143489 /nfs/dbraw/zinc/14/34/89/385143489.db2.gz CZHPAAKIJHBLRH-UHFFFAOYSA-N 0 0 219.067 3.088 10 0 BGAERN O=C1Nc2c(cccc2Cl)C12CCCCC2 ZINC000165554238 346654260 /nfs/dbraw/zinc/65/42/60/346654260.db2.gz JEYSFBVLIIENIT-UHFFFAOYSA-N 0 0 235.714 3.494 10 0 BGAERN CC(C)(C)OC(=O)N[C@@H]1CCCCC1(F)F ZINC000165558144 344143059 /nfs/dbraw/zinc/14/30/59/344143059.db2.gz IDYCBSJTJKHNRX-MRVPVSSYSA-N 0 0 235.274 3.089 10 0 BGAERN CC(C)(C)OC(=O)N[C@H]1CCCCC1(F)F ZINC000165558258 344142999 /nfs/dbraw/zinc/14/29/99/344142999.db2.gz IDYCBSJTJKHNRX-QMMMGPOBSA-N 0 0 235.274 3.089 10 0 BGAERN C[C@@H](CC1CC1)Nc1cccc(-n2cccn2)c1 ZINC000165614130 203385234 /nfs/dbraw/zinc/38/52/34/203385234.db2.gz QDDCJNCOCJFKFO-LBPRGKRZSA-N 0 0 241.338 3.473 10 0 BGAERN C[C@H](CC1CC1)Nc1cccc(-n2cccn2)c1 ZINC000165614258 203385969 /nfs/dbraw/zinc/38/59/69/203385969.db2.gz QDDCJNCOCJFKFO-GFCCVEGCSA-N 0 0 241.338 3.473 10 0 BGAERN Cc1ccc([C@@H]2CC(=O)CC[C@@H]2C)cc1 ZINC000165623236 640588289 /nfs/dbraw/zinc/58/82/89/640588289.db2.gz JIWKXNYKQIGPSH-SMDDNHRTSA-N 0 0 202.297 3.468 10 0 BGAERN Cc1ccc([C@H]2CC(=O)CC[C@@H]2C)cc1 ZINC000165623381 640588873 /nfs/dbraw/zinc/58/88/73/640588873.db2.gz JIWKXNYKQIGPSH-FZMZJTMJSA-N 0 0 202.297 3.468 10 0 BGAERN Cc1ccc([C@@H]2CC(=O)CC[C@H]2C)cc1 ZINC000165623516 640588396 /nfs/dbraw/zinc/58/83/96/640588396.db2.gz JIWKXNYKQIGPSH-BXUZGUMPSA-N 0 0 202.297 3.468 10 0 BGAERN Cc1ccc([C@H]2CC(=O)CC[C@H]2C)cc1 ZINC000165623637 643580190 /nfs/dbraw/zinc/58/01/90/643580190.db2.gz JIWKXNYKQIGPSH-RISCZKNCSA-N 0 0 202.297 3.468 10 0 BGAERN CC(C)(C)c1ccc([C@H](O)C2CC2)s1 ZINC000165634542 346655483 /nfs/dbraw/zinc/65/54/83/346655483.db2.gz DVPGKKWSCBSHKU-LLVKDONJSA-N 0 0 210.342 3.489 10 0 BGAERN CC(C)(C)c1ccc([C@@H](O)C2CC2)s1 ZINC000165634662 384059177 /nfs/dbraw/zinc/05/91/77/384059177.db2.gz DVPGKKWSCBSHKU-NSHDSACASA-N 0 0 210.342 3.489 10 0 BGAERN CCC[C@H]([NH2+]C(CC(C)C)CC(C)C)C(=O)[O-] ZINC000165659002 135495137 /nfs/dbraw/zinc/49/51/37/135495137.db2.gz WPGMXDDVDMJQSY-ZDUSSCGKSA-N 0 0 243.391 3.290 10 0 BGAERN CCC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C(=O)[O-] ZINC000165659109 640590973 /nfs/dbraw/zinc/59/09/73/640590973.db2.gz WPGMXDDVDMJQSY-CYBMUJFWSA-N 0 0 243.391 3.290 10 0 BGAERN CCCC/C=C\S(=O)(=O)c1ccccc1 ZINC000165668138 643397776 /nfs/dbraw/zinc/39/77/76/643397776.db2.gz DMSHKKYCKFTGCG-FLIBITNWSA-N 0 0 224.325 3.164 10 0 BGAERN OCc1ccc(C2CCCCC2)c(F)c1 ZINC000165715418 343228250 /nfs/dbraw/zinc/22/82/50/343228250.db2.gz FNMDJBGICVPNRL-UHFFFAOYSA-N 0 0 208.276 3.366 10 0 BGAERN Cc1cc(C)c(C=O)c(OCc2ccccc2)n1 ZINC000165812322 345756539 /nfs/dbraw/zinc/75/65/39/345756539.db2.gz HCWKSBWUTSLRDB-UHFFFAOYSA-N 0 0 241.290 3.090 10 0 BGAERN CC(=O)N1CCCC[C@@H]1c1ccccc1Cl ZINC000165822035 344153593 /nfs/dbraw/zinc/15/35/93/344153593.db2.gz OWHUBEXFHKJFBP-CYBMUJFWSA-N 0 0 237.730 3.414 10 0 BGAERN CC(=O)N1CCCC[C@H]1c1ccccc1Cl ZINC000165822165 344153589 /nfs/dbraw/zinc/15/35/89/344153589.db2.gz OWHUBEXFHKJFBP-ZDUSSCGKSA-N 0 0 237.730 3.414 10 0 BGAERN C[C@@H]1CNc2ccc(Cl)cc2N[C@@H]1C ZINC000165839813 344155175 /nfs/dbraw/zinc/15/51/75/344155175.db2.gz FIMGADCJZRRWBP-HTQZYQBOSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@H]1Nc2cc(Cl)ccc2NC[C@@H]1C ZINC000165839940 344155331 /nfs/dbraw/zinc/15/53/31/344155331.db2.gz FIMGADCJZRRWBP-JGVFFNPUSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@@H]1CNc2ccc(Cl)cc2N[C@H]1C ZINC000165840049 346659004 /nfs/dbraw/zinc/65/90/04/346659004.db2.gz FIMGADCJZRRWBP-SFYZADRCSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@H]1CNc2ccc(Cl)cc2N[C@H]1C ZINC000165840170 344155312 /nfs/dbraw/zinc/15/53/12/344155312.db2.gz FIMGADCJZRRWBP-YUMQZZPRSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@@H]1CNc2cccc(Cl)c2N[C@@H]1C ZINC000165840828 344155206 /nfs/dbraw/zinc/15/52/06/344155206.db2.gz XMHOJHMETXIIDP-HTQZYQBOSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@H]1Nc2c(Cl)cccc2NC[C@@H]1C ZINC000165840950 344155223 /nfs/dbraw/zinc/15/52/23/344155223.db2.gz XMHOJHMETXIIDP-JGVFFNPUSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@@H]1CNc2cccc(Cl)c2N[C@H]1C ZINC000165841084 344155275 /nfs/dbraw/zinc/15/52/75/344155275.db2.gz XMHOJHMETXIIDP-SFYZADRCSA-N 0 0 210.708 3.202 10 0 BGAERN C[C@H]1CNc2cccc(Cl)c2N[C@H]1C ZINC000165841205 344155280 /nfs/dbraw/zinc/15/52/80/344155280.db2.gz XMHOJHMETXIIDP-YUMQZZPRSA-N 0 0 210.708 3.202 10 0 BGAERN NN[C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000165853090 344155830 /nfs/dbraw/zinc/15/58/30/344155830.db2.gz MBBHHZIGOLFVJU-VIFPVBQESA-N 0 0 244.772 3.016 10 0 BGAERN NN[C@H](c1cccs1)c1ccc(Cl)s1 ZINC000165853215 346659616 /nfs/dbraw/zinc/65/96/16/346659616.db2.gz MBBHHZIGOLFVJU-SECBINFHSA-N 0 0 244.772 3.016 10 0 BGAERN Cc1cc(Cl)c2ncc(N)c(Cl)c2c1 ZINC000165860913 344158334 /nfs/dbraw/zinc/15/83/34/344158334.db2.gz WGFNGGPLCGRDFG-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN Cc1cc(C)c2ncc(N)c(Cl)c2c1 ZINC000165861581 353753650 /nfs/dbraw/zinc/75/36/50/353753650.db2.gz WEMSPTYTQMMRFB-UHFFFAOYSA-N 0 0 206.676 3.087 10 0 BGAERN Nc1cnc2c(F)ccc(Cl)c2c1Cl ZINC000165861960 353753602 /nfs/dbraw/zinc/75/36/02/353753602.db2.gz CKGMTQQGQCBXTR-UHFFFAOYSA-N 0 0 231.057 3.263 10 0 BGAERN Nc1cnc2ccc(Cl)cc2c1Cl ZINC000165865913 353758834 /nfs/dbraw/zinc/75/88/34/353758834.db2.gz INSARLYGKZCQIW-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Nc1cnc2c(Cl)cccc2c1Cl ZINC000165867528 344159970 /nfs/dbraw/zinc/15/99/70/344159970.db2.gz OTWCLYQWOKGRTA-UHFFFAOYSA-N 0 0 213.067 3.124 10 0 BGAERN Cc1ccc(-c2ccnc(Cl)c2CO)cc1 ZINC000165868631 346660053 /nfs/dbraw/zinc/66/00/53/346660053.db2.gz SJRAFVBQNWUQGM-UHFFFAOYSA-N 0 0 233.698 3.203 10 0 BGAERN O=C1CC2(CCCCC2)C1(Cl)Cl ZINC000165888141 346660067 /nfs/dbraw/zinc/66/00/67/346660067.db2.gz RMXSYKPURXNTSC-UHFFFAOYSA-N 0 0 207.100 3.084 10 0 BGAERN Nc1cnc2cc(F)c(Cl)cc2c1Cl ZINC000165889808 344185683 /nfs/dbraw/zinc/18/56/83/344185683.db2.gz MIVPBUHKWGHBPV-UHFFFAOYSA-N 0 0 231.057 3.263 10 0 BGAERN Cc1cc2c(Cl)c(N)cnc2cc1Cl ZINC000165890788 353819401 /nfs/dbraw/zinc/81/94/01/353819401.db2.gz OLSWBYJJPSBHJF-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN O[C@]1(CCc2cccs2)C=CCCC1 ZINC000165922651 344231901 /nfs/dbraw/zinc/23/19/01/344231901.db2.gz HEZQKCAUURBVPG-GFCCVEGCSA-N 0 0 208.326 3.152 10 0 BGAERN O[C@@]1(CCc2cccs2)C=CCCC1 ZINC000165922762 344231852 /nfs/dbraw/zinc/23/18/52/344231852.db2.gz HEZQKCAUURBVPG-LBPRGKRZSA-N 0 0 208.326 3.152 10 0 BGAERN O=C(CC1CC1)c1cccc(F)c1Cl ZINC000165936678 344240151 /nfs/dbraw/zinc/24/01/51/344240151.db2.gz IMMIWXJIXVSPQN-UHFFFAOYSA-N 0 0 212.651 3.462 10 0 BGAERN Cc1ccc(C(=O)C2CCCCC2)c(N)c1 ZINC000165958243 361846682 /nfs/dbraw/zinc/84/66/82/361846682.db2.gz IMTLTAWFTDMTAT-UHFFFAOYSA-N 0 0 217.312 3.340 10 0 BGAERN CCc1nc2occ(-c3ccccc3)c2c(N)n1 ZINC000165977375 643585450 /nfs/dbraw/zinc/58/54/50/643585450.db2.gz OZAMYEDRHQKCDQ-UHFFFAOYSA-N 0 0 239.278 3.034 10 0 BGAERN Cc1cc(C(=O)c2ccccc2)cc(C)c1N ZINC000165987260 343286856 /nfs/dbraw/zinc/28/68/56/343286856.db2.gz NSJGGFYFARGCTA-UHFFFAOYSA-N 0 0 225.291 3.117 10 0 BGAERN O=C1CC=C(c2ccccc2)c2ccccc2N1 ZINC000165988833 343562824 /nfs/dbraw/zinc/56/28/24/343562824.db2.gz SXAJZIAYLXOBCD-UHFFFAOYSA-N 0 0 235.286 3.461 10 0 BGAERN C[C@@H]1CCCN1Cc1cnc(Cl)cc1Cl ZINC000165994830 344270419 /nfs/dbraw/zinc/27/04/19/344270419.db2.gz LDXMOGGVEQKVPX-MRVPVSSYSA-N 0 0 245.153 3.373 10 0 BGAERN C[C@H]1CCCN1Cc1cnc(Cl)cc1Cl ZINC000165994947 344270589 /nfs/dbraw/zinc/27/05/89/344270589.db2.gz LDXMOGGVEQKVPX-QMMMGPOBSA-N 0 0 245.153 3.373 10 0 BGAERN CCNc1cc2c3cc(N)oc3ccc2o1 ZINC000165997869 170172617 /nfs/dbraw/zinc/17/26/17/170172617.db2.gz KIELHLUVOLAFAK-UHFFFAOYSA-N 0 0 216.240 3.193 10 0 BGAERN CN(Cc1cnc(Cl)cc1Cl)C1CCC1 ZINC000166003940 354681449 /nfs/dbraw/zinc/68/14/49/354681449.db2.gz VQXWXTMDYGNPDM-UHFFFAOYSA-N 0 0 245.153 3.373 10 0 BGAERN CC1(C(=O)Cc2cc(F)ccc2Cl)CC1 ZINC000166004079 344272294 /nfs/dbraw/zinc/27/22/94/344272294.db2.gz LBDLUKCOGRXJLU-UHFFFAOYSA-N 0 0 226.678 3.391 10 0 BGAERN Brc1nc(-c2cccs2)ns1 ZINC000166012533 344275250 /nfs/dbraw/zinc/27/52/50/344275250.db2.gz IEHBREPNFCOADK-UHFFFAOYSA-N 0 0 247.142 3.029 10 0 BGAERN Clc1cc(Cl)c(COC2CCC2)cn1 ZINC000166013675 354769309 /nfs/dbraw/zinc/76/93/09/354769309.db2.gz OOWVHQXCYAUKAT-UHFFFAOYSA-N 0 0 232.110 3.458 10 0 BGAERN OCC/C=C/c1ccc(C(F)(F)F)cc1 ZINC000166014084 343298058 /nfs/dbraw/zinc/29/80/58/343298058.db2.gz OJEXHLWFWJOZRO-HNQUOIGGSA-N 0 0 216.202 3.101 10 0 BGAERN C[C@@H]1CC[C@H](c2nsc(Br)n2)C1 ZINC000166033648 344406310 /nfs/dbraw/zinc/40/63/10/344406310.db2.gz MXLIINZQICABEB-RITPCOANSA-N 0 0 247.161 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/nfs/dbraw/zinc/09/89/87/358098987.db2.gz SIUBJAFQNJUJIR-UHFFFAOYSA-N 0 0 229.123 3.428 10 0 BGAERN Cc1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000169052981 346751684 /nfs/dbraw/zinc/75/16/84/346751684.db2.gz MYACMXSLOZEHFE-UHFFFAOYSA-N 0 0 229.123 3.428 10 0 BGAERN CCc1ccc(OC(F)(F)F)cc1OC ZINC000169065380 358182835 /nfs/dbraw/zinc/18/28/35/358182835.db2.gz KOTBQALMHMZMMB-UHFFFAOYSA-N 0 0 220.190 3.156 10 0 BGAERN CC[C@H](O)c1cc(C)cc(Br)c1 ZINC000169081006 358546644 /nfs/dbraw/zinc/54/66/44/358546644.db2.gz DJABPIPNTOCKFU-JTQLQIEISA-N 0 0 229.117 3.201 10 0 BGAERN CC[C@@H](O)c1cc(C)cc(Br)c1 ZINC000169081089 358546639 /nfs/dbraw/zinc/54/66/39/358546639.db2.gz DJABPIPNTOCKFU-SNVBAGLBSA-N 0 0 229.117 3.201 10 0 BGAERN Fc1ccc(-c2ccc3ccnn3c2)cc1 ZINC000169095339 358736911 /nfs/dbraw/zinc/73/69/11/358736911.db2.gz JOQXRUCEPHJRIS-UHFFFAOYSA-N 0 0 212.227 3.140 10 0 BGAERN O=c1cc[nH]c2scc(-c3ccccc3)c21 ZINC000169115993 359083146 /nfs/dbraw/zinc/08/31/46/359083146.db2.gz GETRYMBJQGMIRK-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/77/60/26/359776026.db2.gz UCJTYCQTHGZAPI-UHFFFAOYSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2ccc(F)nc2)C1 ZINC000169210912 359773160 /nfs/dbraw/zinc/77/31/60/359773160.db2.gz VHEBIWNSAMUHAB-ZJUUUORDSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCC[C@H](Oc2ccc(F)nc2)C1 ZINC000169210984 359773360 /nfs/dbraw/zinc/77/33/60/359773360.db2.gz VHEBIWNSAMUHAB-UWVGGRQHSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2ccc(F)nc2)C1 ZINC000169211065 359773370 /nfs/dbraw/zinc/77/33/70/359773370.db2.gz VHEBIWNSAMUHAB-NXEZZACHSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2ccc(F)nc2)C1 ZINC000169211136 359773602 /nfs/dbraw/zinc/77/36/02/359773602.db2.gz VHEBIWNSAMUHAB-VHSXEESVSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@](O)(c1ccoc1)c1ccc(Cl)s1 ZINC000169260310 359981837 /nfs/dbraw/zinc/98/18/37/359981837.db2.gz MBEGFTMYIFZKFO-SNVBAGLBSA-N 0 0 228.700 3.250 10 0 BGAERN C[C@](O)(c1ccoc1)c1ccc(Cl)s1 ZINC000169260388 359981944 /nfs/dbraw/zinc/98/19/44/359981944.db2.gz 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/nfs/dbraw/zinc/32/85/30/644328530.db2.gz HUZUODZJVUGRFD-HRDYMLBCSA-N 0 0 210.298 3.008 10 0 BGAERN C[C@H](OC(=O)[C@@H]1C[C@@H]1C)c1cccs1 ZINC000194557501 644327582 /nfs/dbraw/zinc/32/75/82/644327582.db2.gz HUZUODZJVUGRFD-XHNCKOQMSA-N 0 0 210.298 3.008 10 0 BGAERN C[C@H](OC(=O)C(C)(C)C)c1cccs1 ZINC000194557869 644328015 /nfs/dbraw/zinc/32/80/15/644328015.db2.gz BHLCYHNAPOXQHM-QMMMGPOBSA-N 0 0 212.314 3.398 10 0 BGAERN C[C@@H](OC(=O)C(C)(C)C)c1cccs1 ZINC000194557884 644328613 /nfs/dbraw/zinc/32/86/13/644328613.db2.gz BHLCYHNAPOXQHM-MRVPVSSYSA-N 0 0 212.314 3.398 10 0 BGAERN C[C@H](OC(=O)c1ccoc1)c1cccs1 ZINC000194558792 644329279 /nfs/dbraw/zinc/32/92/79/644329279.db2.gz PZEOAZYINFZVRS-QMMMGPOBSA-N 0 0 222.265 3.259 10 0 BGAERN C[C@@H](OC(=O)c1ccoc1)c1cccs1 ZINC000194558804 644329643 /nfs/dbraw/zinc/32/96/43/644329643.db2.gz PZEOAZYINFZVRS-MRVPVSSYSA-N 0 0 222.265 3.259 10 0 BGAERN C[C@H](OC(=O)c1cccn1C)c1cccs1 ZINC000194561842 644328788 /nfs/dbraw/zinc/32/87/88/644328788.db2.gz SHFQXWGWEWOUND-VIFPVBQESA-N 0 0 235.308 3.005 10 0 BGAERN C[C@@H](OC(=O)c1cccn1C)c1cccs1 ZINC000194561856 644329009 /nfs/dbraw/zinc/32/90/09/644329009.db2.gz SHFQXWGWEWOUND-SECBINFHSA-N 0 0 235.308 3.005 10 0 BGAERN CC(C)=CC(=O)O[C@@H](C)c1cccs1 ZINC000194562377 644329203 /nfs/dbraw/zinc/32/92/03/644329203.db2.gz AJDSNSWMZZGVEC-VIFPVBQESA-N 0 0 210.298 3.319 10 0 BGAERN CC(C)=CC(=O)O[C@H](C)c1cccs1 ZINC000194562394 644328731 /nfs/dbraw/zinc/32/87/31/644328731.db2.gz AJDSNSWMZZGVEC-SECBINFHSA-N 0 0 210.298 3.319 10 0 BGAERN C[C@H](OC(=O)C1CCC1)c1cccs1 ZINC000194562614 644328220 /nfs/dbraw/zinc/32/82/20/644328220.db2.gz ZXQKYYMDMQJADE-QMMMGPOBSA-N 0 0 210.298 3.152 10 0 BGAERN C[C@@H](OC(=O)C1CCC1)c1cccs1 ZINC000194562630 644328715 /nfs/dbraw/zinc/32/87/15/644328715.db2.gz ZXQKYYMDMQJADE-MRVPVSSYSA-N 0 0 210.298 3.152 10 0 BGAERN C[C@H](OC(=O)c1cccnc1)c1cccs1 ZINC000194563022 644329212 /nfs/dbraw/zinc/32/92/12/644329212.db2.gz HQMINZARLMTQGK-VIFPVBQESA-N 0 0 233.292 3.061 10 0 BGAERN C[C@@H](OC(=O)c1cccnc1)c1cccs1 ZINC000194563037 644327923 /nfs/dbraw/zinc/32/79/23/644327923.db2.gz HQMINZARLMTQGK-SECBINFHSA-N 0 0 233.292 3.061 10 0 BGAERN C[C@H](OC(=O)c1ccco1)c1cccs1 ZINC000194563135 644329757 /nfs/dbraw/zinc/32/97/57/644329757.db2.gz PWLBTBFFIFECGO-QMMMGPOBSA-N 0 0 222.265 3.259 10 0 BGAERN C[C@@H](OC(=O)c1ccco1)c1cccs1 ZINC000194563152 644329180 /nfs/dbraw/zinc/32/91/80/644329180.db2.gz PWLBTBFFIFECGO-MRVPVSSYSA-N 0 0 222.265 3.259 10 0 BGAERN CC(C)CC(=O)O[C@@H](C)c1cccs1 ZINC000194563306 644327940 /nfs/dbraw/zinc/32/79/40/644327940.db2.gz OLUKBAGRKPRDFN-VIFPVBQESA-N 0 0 212.314 3.398 10 0 BGAERN CC(C)CC(=O)O[C@H](C)c1cccs1 ZINC000194563322 644329914 /nfs/dbraw/zinc/32/99/14/644329914.db2.gz OLUKBAGRKPRDFN-SECBINFHSA-N 0 0 212.314 3.398 10 0 BGAERN COCCCCC(=O)O[C@@H](C)c1cccs1 ZINC000194564076 644327541 /nfs/dbraw/zinc/32/75/41/644327541.db2.gz WJPDRYCWXGBCSG-JTQLQIEISA-N 0 0 242.340 3.169 10 0 BGAERN COCCCCC(=O)O[C@H](C)c1cccs1 ZINC000194564094 644328854 /nfs/dbraw/zinc/32/88/54/644328854.db2.gz WJPDRYCWXGBCSG-SNVBAGLBSA-N 0 0 242.340 3.169 10 0 BGAERN CCCSCC(=O)O[C@@H](C)c1cccs1 ZINC000194566503 644327775 /nfs/dbraw/zinc/32/77/75/644327775.db2.gz FTFQVNSNZFNHBH-VIFPVBQESA-N 0 0 244.381 3.496 10 0 BGAERN CCCSCC(=O)O[C@H](C)c1cccs1 ZINC000194566520 644329682 /nfs/dbraw/zinc/32/96/82/644329682.db2.gz FTFQVNSNZFNHBH-SECBINFHSA-N 0 0 244.381 3.496 10 0 BGAERN CCOCCCC(=O)O[C@@H](C)c1cccs1 ZINC000194568272 644328956 /nfs/dbraw/zinc/32/89/56/644328956.db2.gz NGZDFJBHXGWQKP-JTQLQIEISA-N 0 0 242.340 3.169 10 0 BGAERN CCOCCCC(=O)O[C@H](C)c1cccs1 ZINC000194568286 634395577 /nfs/dbraw/zinc/39/55/77/634395577.db2.gz NGZDFJBHXGWQKP-SNVBAGLBSA-N 0 0 242.340 3.169 10 0 BGAERN CC(C)OCCC(=O)O[C@@H](C)c1cccs1 ZINC000194568341 644327855 /nfs/dbraw/zinc/32/78/55/644327855.db2.gz KDFXFPJMVVHLPC-JTQLQIEISA-N 0 0 242.340 3.167 10 0 BGAERN CC(C)OCCC(=O)O[C@H](C)c1cccs1 ZINC000194568353 644329140 /nfs/dbraw/zinc/32/91/40/644329140.db2.gz KDFXFPJMVVHLPC-SNVBAGLBSA-N 0 0 242.340 3.167 10 0 BGAERN CC[C@@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194570618 644329150 /nfs/dbraw/zinc/32/91/50/644329150.db2.gz YENRHZXWVHRGNZ-BDAKNGLRSA-N 0 0 212.314 3.398 10 0 BGAERN CC[C@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000194570630 644329749 /nfs/dbraw/zinc/32/97/49/644329749.db2.gz YENRHZXWVHRGNZ-IUCAKERBSA-N 0 0 212.314 3.398 10 0 BGAERN CC[C@@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194570646 644328231 /nfs/dbraw/zinc/32/82/31/644328231.db2.gz YENRHZXWVHRGNZ-RKDXNWHRSA-N 0 0 212.314 3.398 10 0 BGAERN CC[C@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000194570659 634399148 /nfs/dbraw/zinc/39/91/48/634399148.db2.gz YENRHZXWVHRGNZ-DTWKUNHWSA-N 0 0 212.314 3.398 10 0 BGAERN Cc1ccc(C(=O)O[C@@H](C)c2cccs2)n1C ZINC000194571906 644328341 /nfs/dbraw/zinc/32/83/41/644328341.db2.gz UOATYOIGYTWHEB-JTQLQIEISA-N 0 0 249.335 3.313 10 0 BGAERN Cc1ccc(C(=O)O[C@H](C)c2cccs2)n1C ZINC000194571924 644327613 /nfs/dbraw/zinc/32/76/13/644327613.db2.gz UOATYOIGYTWHEB-SNVBAGLBSA-N 0 0 249.335 3.313 10 0 BGAERN CC(C)c1nnc(CSc2ccccc2)n1C ZINC000194655523 347427842 /nfs/dbraw/zinc/42/78/42/347427842.db2.gz NRGGLMJZUBZKAY-UHFFFAOYSA-N 0 0 247.367 3.231 10 0 BGAERN CCn1c(C)nnc1CSCc1ccccc1 ZINC000194658531 535976763 /nfs/dbraw/zinc/97/67/63/535976763.db2.gz LOJBHKMTWMLGDT-UHFFFAOYSA-N 0 0 247.367 3.040 10 0 BGAERN CCn1c(C)nnc1CSc1ccc(C)cc1 ZINC000194659015 387887456 /nfs/dbraw/zinc/88/74/56/387887456.db2.gz AIXBGZRGNAQCML-UHFFFAOYSA-N 0 0 247.367 3.207 10 0 BGAERN CC(C)c1nnc(CSC2CCCC2)n1C ZINC000194659150 367315896 /nfs/dbraw/zinc/31/58/96/367315896.db2.gz RZISVQSWNHPMGW-UHFFFAOYSA-N 0 0 239.388 3.114 10 0 BGAERN CCn1c(C)nnc1CSc1ccccc1C ZINC000194696195 387900954 /nfs/dbraw/zinc/90/09/54/387900954.db2.gz LSCUZFPZLQAVCK-UHFFFAOYSA-N 0 0 247.367 3.207 10 0 BGAERN CCn1c(C)nnc1CSc1cccc(C)c1 ZINC000194699060 387892879 /nfs/dbraw/zinc/89/28/79/387892879.db2.gz YMGINYJGBABLHP-UHFFFAOYSA-N 0 0 247.367 3.207 10 0 BGAERN C[C@@H]1CC[C@H](NC(=O)C(F)F)c2ccccc21 ZINC000194802444 176231761 /nfs/dbraw/zinc/23/17/61/176231761.db2.gz YDRAGRUPTFCGQA-KCJUWKMLSA-N 0 0 239.265 3.006 10 0 BGAERN C[C@H]1CC[C@H](NC(=O)C(F)F)c2ccccc21 ZINC000194802460 177204917 /nfs/dbraw/zinc/20/49/17/177204917.db2.gz YDRAGRUPTFCGQA-KWQFWETISA-N 0 0 239.265 3.006 10 0 BGAERN C[C@@H]1CC[C@@H](NC(=O)C(F)F)c2ccccc21 ZINC000194802476 176209968 /nfs/dbraw/zinc/20/99/68/176209968.db2.gz YDRAGRUPTFCGQA-LDYMZIIASA-N 0 0 239.265 3.006 10 0 BGAERN C[C@H]1CC[C@@H](NC(=O)C(F)F)c2ccccc21 ZINC000194802490 177192624 /nfs/dbraw/zinc/19/26/24/177192624.db2.gz YDRAGRUPTFCGQA-GZMMTYOYSA-N 0 0 239.265 3.006 10 0 BGAERN CCCCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000194857258 644350408 /nfs/dbraw/zinc/35/04/08/644350408.db2.gz AETSPYQDSFEQJL-CYBMUJFWSA-N 0 0 247.338 3.207 10 0 BGAERN CCCCCCC(=O)N[C@H]1COc2ccccc21 ZINC000194857271 644350818 /nfs/dbraw/zinc/35/08/18/644350818.db2.gz AETSPYQDSFEQJL-ZDUSSCGKSA-N 0 0 247.338 3.207 10 0 BGAERN Cc1c(C(=O)O[C@@H](C)c2cccs2)ccn1C ZINC000194914790 644351106 /nfs/dbraw/zinc/35/11/06/644351106.db2.gz SNCKKDMQXJKHEP-JTQLQIEISA-N 0 0 249.335 3.313 10 0 BGAERN Cc1c(C(=O)O[C@H](C)c2cccs2)ccn1C ZINC000194914804 644353440 /nfs/dbraw/zinc/35/34/40/644353440.db2.gz SNCKKDMQXJKHEP-SNVBAGLBSA-N 0 0 249.335 3.313 10 0 BGAERN C[C@@H]1COCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000195065836 367335575 /nfs/dbraw/zinc/33/55/75/367335575.db2.gz FSKWRJOHWQGWHK-SKDRFNHKSA-N 0 0 225.719 3.177 10 0 BGAERN C[C@H]1COCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000195065847 367334926 /nfs/dbraw/zinc/33/49/26/367334926.db2.gz FSKWRJOHWQGWHK-CABZTGNLSA-N 0 0 225.719 3.177 10 0 BGAERN C[C@@H]1COCC[C@H]1Nc1ccc(Cl)cc1 ZINC000195065856 367334952 /nfs/dbraw/zinc/33/49/52/367334952.db2.gz FSKWRJOHWQGWHK-BXKDBHETSA-N 0 0 225.719 3.177 10 0 BGAERN C[C@H]1COCC[C@H]1Nc1ccc(Cl)cc1 ZINC000195065868 367335723 /nfs/dbraw/zinc/33/57/23/367335723.db2.gz FSKWRJOHWQGWHK-JOYOIKCWSA-N 0 0 225.719 3.177 10 0 BGAERN CCC1CCC(NC(=O)c2ccn(C)c2C)CC1 ZINC000195098396 537803670 /nfs/dbraw/zinc/80/36/70/537803670.db2.gz USCMKIWIPZMJMM-UHFFFAOYSA-N 0 0 248.370 3.032 10 0 BGAERN C[C@@H]1COCC[C@@H]1Nc1ccc(F)c(Cl)c1 ZINC000195103282 176342403 /nfs/dbraw/zinc/34/24/03/176342403.db2.gz DHZGYHFQMHJIDY-PELKAZGASA-N 0 0 243.709 3.316 10 0 BGAERN C[C@H]1COCC[C@@H]1Nc1ccc(F)c(Cl)c1 ZINC000195103290 177295440 /nfs/dbraw/zinc/29/54/40/177295440.db2.gz DHZGYHFQMHJIDY-UFBFGSQYSA-N 0 0 243.709 3.316 10 0 BGAERN C[C@@H]1COCC[C@H]1Nc1ccc(F)c(Cl)c1 ZINC000195103303 176345406 /nfs/dbraw/zinc/34/54/06/176345406.db2.gz DHZGYHFQMHJIDY-PRHODGIISA-N 0 0 243.709 3.316 10 0 BGAERN C[C@H]1COCC[C@H]1Nc1ccc(F)c(Cl)c1 ZINC000195103312 177297054 /nfs/dbraw/zinc/29/70/54/177297054.db2.gz DHZGYHFQMHJIDY-QPUJVOFHSA-N 0 0 243.709 3.316 10 0 BGAERN CCC(CC)SCc1nccn1CC ZINC000195185920 387907941 /nfs/dbraw/zinc/90/79/41/387907941.db2.gz FEOQGBCNRYSDKK-UHFFFAOYSA-N 0 0 212.362 3.325 10 0 BGAERN CCC(CC)SCc1nnc(C(C)C)n1C ZINC000195186007 535089497 /nfs/dbraw/zinc/08/94/97/535089497.db2.gz GRFJMPTVHPBWFD-UHFFFAOYSA-N 0 0 241.404 3.360 10 0 BGAERN Cc1c(Cl)cccc1C(=O)N[C@@H](C)C(C)C ZINC000195272895 388703237 /nfs/dbraw/zinc/70/32/37/388703237.db2.gz PCJYFORNIGVBNZ-JTQLQIEISA-N 0 0 239.746 3.423 10 0 BGAERN Cc1c(Cl)cccc1C(=O)N[C@H](C)C(C)C ZINC000195272907 259399676 /nfs/dbraw/zinc/39/96/76/259399676.db2.gz PCJYFORNIGVBNZ-SNVBAGLBSA-N 0 0 239.746 3.423 10 0 BGAERN CCC[C@@H](C)CC(=O)N[C@@H]1COc2ccccc21 ZINC000195278737 387915259 /nfs/dbraw/zinc/91/52/59/387915259.db2.gz FATCGOOHPKNYRO-DGCLKSJQSA-N 0 0 247.338 3.063 10 0 BGAERN CCC[C@H](C)CC(=O)N[C@@H]1COc2ccccc21 ZINC000195278745 387915355 /nfs/dbraw/zinc/91/53/55/387915355.db2.gz FATCGOOHPKNYRO-WCQYABFASA-N 0 0 247.338 3.063 10 0 BGAERN CCC[C@@H](C)CC(=O)N[C@H]1COc2ccccc21 ZINC000195278753 387916651 /nfs/dbraw/zinc/91/66/51/387916651.db2.gz FATCGOOHPKNYRO-YPMHNXCESA-N 0 0 247.338 3.063 10 0 BGAERN CCC[C@H](C)CC(=O)N[C@H]1COc2ccccc21 ZINC000195278763 387918184 /nfs/dbraw/zinc/91/81/84/387918184.db2.gz FATCGOOHPKNYRO-AAEUAGOBSA-N 0 0 247.338 3.063 10 0 BGAERN Cl/C=C/CN1CCCC[C@H]1c1nccs1 ZINC000195439433 387916340 /nfs/dbraw/zinc/91/63/40/387916340.db2.gz OCIWNPIRWYSEKN-GFAPAMAISA-N 0 0 242.775 3.423 10 0 BGAERN Cl/C=C/CN1CCCC[C@@H]1c1nccs1 ZINC000195439438 387915704 /nfs/dbraw/zinc/91/57/04/387915704.db2.gz OCIWNPIRWYSEKN-RXNUUUNCSA-N 0 0 242.775 3.423 10 0 BGAERN CSCCN1CCCC[C@@H]1c1nccs1 ZINC000195440331 387917148 /nfs/dbraw/zinc/91/71/48/387917148.db2.gz ILFXLYQFVIYCNV-SNVBAGLBSA-N 0 0 242.413 3.033 10 0 BGAERN CSCCN1CCCC[C@H]1c1nccs1 ZINC000195440337 387916461 /nfs/dbraw/zinc/91/64/61/387916461.db2.gz ILFXLYQFVIYCNV-JTQLQIEISA-N 0 0 242.413 3.033 10 0 BGAERN CO[C@@H](C)CC(=O)O[C@@H]1CCCc2ccccc21 ZINC000195493483 644394268 /nfs/dbraw/zinc/39/42/68/644394268.db2.gz KQJYXJHTWMJZMC-SMDDNHRTSA-N 0 0 248.322 3.032 10 0 BGAERN CO[C@H](C)CC(=O)O[C@@H]1CCCc2ccccc21 ZINC000195493486 644394098 /nfs/dbraw/zinc/39/40/98/644394098.db2.gz KQJYXJHTWMJZMC-BXUZGUMPSA-N 0 0 248.322 3.032 10 0 BGAERN CO[C@@H](C)CC(=O)O[C@H]1CCCc2ccccc21 ZINC000195493488 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343571291 /nfs/dbraw/zinc/57/12/91/343571291.db2.gz TYDSHBYHIZCJII-UHFFFAOYSA-N 0 0 204.269 3.440 10 0 BGAERN CCOC(=O)/C=C/c1ccc(Cl)c(C)c1 ZINC000204534270 589347054 /nfs/dbraw/zinc/34/70/54/589347054.db2.gz QTHKRPDCSBXRHK-FNORWQNLSA-N 0 0 224.687 3.225 10 0 BGAERN CCC(O)(CC)c1ccc2[nH]c(C)cc2c1 ZINC000204552379 343571932 /nfs/dbraw/zinc/57/19/32/343571932.db2.gz VQNISYRKPZHBAR-UHFFFAOYSA-N 0 0 217.312 3.484 10 0 BGAERN CC(C)Cc1ccc2c(Cl)ccnc2n1 ZINC000204621304 589349655 /nfs/dbraw/zinc/34/96/55/589349655.db2.gz QQPPNVDESVDHOE-UHFFFAOYSA-N 0 0 220.703 3.482 10 0 BGAERN Clc1nc(Cl)c(Br)s1 ZINC000204685390 188178629 /nfs/dbraw/zinc/17/86/29/188178629.db2.gz VXWJHQWLNFDPAC-UHFFFAOYSA-N 0 0 232.917 3.212 10 0 BGAERN CC(C)(C)c1coc(-c2cccc(O)c2)n1 ZINC000204729811 343586832 /nfs/dbraw/zinc/58/68/32/343586832.db2.gz NSOCEEORBLFVBH-UHFFFAOYSA-N 0 0 217.268 3.345 10 0 BGAERN C=C(Oc1ccc(C(C)(C)C)cc1)C(=O)OC ZINC000204774750 343590369 /nfs/dbraw/zinc/59/03/69/343590369.db2.gz 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245.503 3.275 10 0 BGAERN Fc1ccc(F)c(-c2ccccn2)c1F ZINC000205944627 345757505 /nfs/dbraw/zinc/75/75/05/345757505.db2.gz BBDBPBCDIUVNAD-UHFFFAOYSA-N 0 0 209.170 3.166 10 0 BGAERN COc1ccc(-c2cc(C(F)F)on2)cc1 ZINC000205948384 348608506 /nfs/dbraw/zinc/60/85/06/348608506.db2.gz DPJANIFKGUEJMK-UHFFFAOYSA-N 0 0 225.194 3.288 10 0 BGAERN Oc1ccc(Cl)cc1/N=C/c1ccccn1 ZINC000205948723 345757523 /nfs/dbraw/zinc/75/75/23/345757523.db2.gz VDEKVCGAAMUACI-OVCLIPMQSA-N 0 0 232.670 3.191 10 0 BGAERN CSC1=NC(C)(C)Cc2cc(C)ccc21 ZINC000205972401 350004342 /nfs/dbraw/zinc/00/43/42/350004342.db2.gz SBJJBDZZWXHZSG-UHFFFAOYSA-N 0 0 219.353 3.439 10 0 BGAERN O=C1CCCc2c3ccc(O)cc3ccc21 ZINC000205974721 346714715 /nfs/dbraw/zinc/71/47/15/346714715.db2.gz STDBQGZVWMYNQM-UHFFFAOYSA-N 0 0 212.248 3.064 10 0 BGAERN c1ncc(-c2c[nH]c3ccccc32)s1 ZINC000205975533 348609948 /nfs/dbraw/zinc/60/99/48/348609948.db2.gz KLKRWAZMPTXTBJ-UHFFFAOYSA-N 0 0 200.266 3.291 10 0 BGAERN c1nscc1-c1c[nH]c2ccccc21 ZINC000205977465 345757339 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/nfs/dbraw/zinc/31/53/36/134315336.db2.gz JBKNWIBOOBSJFM-NSHDSACASA-N 0 0 248.301 3.281 10 0 BGAERN Cc1cnc([C@@H](C)NCc2cccc(C)c2)o1 ZINC000220901794 134315298 /nfs/dbraw/zinc/31/52/98/134315298.db2.gz KLQNJDMFNCSWTN-GFCCVEGCSA-N 0 0 230.311 3.142 10 0 BGAERN Cc1cnc([C@H](C)NCc2cccc(C)c2)o1 ZINC000220901857 134315324 /nfs/dbraw/zinc/31/53/24/134315324.db2.gz KLQNJDMFNCSWTN-LBPRGKRZSA-N 0 0 230.311 3.142 10 0 BGAERN Cc1cnc([C@@H](C)NCc2ccc(C)s2)o1 ZINC000220909329 134315160 /nfs/dbraw/zinc/31/51/60/134315160.db2.gz TWDVLIDZQSDHKR-SNVBAGLBSA-N 0 0 236.340 3.204 10 0 BGAERN Cc1cnc([C@H](C)NCc2ccc(C)s2)o1 ZINC000220909390 134314799 /nfs/dbraw/zinc/31/47/99/134314799.db2.gz TWDVLIDZQSDHKR-JTQLQIEISA-N 0 0 236.340 3.204 10 0 BGAERN Cc1cnc([C@@H](C)NCc2ccc(C)cc2C)o1 ZINC000220911358 134314980 /nfs/dbraw/zinc/31/49/80/134314980.db2.gz SCBRVHBDVAFPBR-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cnc([C@H](C)NCc2ccc(C)cc2C)o1 ZINC000220911426 134315166 /nfs/dbraw/zinc/31/51/66/134315166.db2.gz SCBRVHBDVAFPBR-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cnc([C@@H](C)NCc2sccc2C)o1 ZINC000220921980 134315028 /nfs/dbraw/zinc/31/50/28/134315028.db2.gz WFGOQFLTNWMRJL-SNVBAGLBSA-N 0 0 236.340 3.204 10 0 BGAERN Cc1cnc([C@H](C)NCc2sccc2C)o1 ZINC000220922038 134315170 /nfs/dbraw/zinc/31/51/70/134315170.db2.gz WFGOQFLTNWMRJL-JTQLQIEISA-N 0 0 236.340 3.204 10 0 BGAERN CCc1ccc(CN[C@@H](C)c2ncc(C)o2)cc1 ZINC000220926332 134314861 /nfs/dbraw/zinc/31/48/61/134314861.db2.gz HXTCIKNUBWOWPX-LBPRGKRZSA-N 0 0 244.338 3.396 10 0 BGAERN CCc1ccc(CN[C@H](C)c2ncc(C)o2)cc1 ZINC000220926395 134315202 /nfs/dbraw/zinc/31/52/02/134315202.db2.gz HXTCIKNUBWOWPX-GFCCVEGCSA-N 0 0 244.338 3.396 10 0 BGAERN O=Cc1cc(C(F)F)cc(C(F)(F)F)c1 ZINC000220940234 343237306 /nfs/dbraw/zinc/23/73/06/343237306.db2.gz CDGPKQVYGYPHEL-UHFFFAOYSA-N 0 0 224.128 3.456 10 0 BGAERN Cc1cnc([C@@H](C)NC/C=C/c2ccccc2)o1 ZINC000220940429 134314921 /nfs/dbraw/zinc/31/49/21/134314921.db2.gz CUUJFCDFRBUKNO-YSKGHYERSA-N 0 0 242.322 3.347 10 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ZINC000220989553 343268435 /nfs/dbraw/zinc/26/84/35/343268435.db2.gz LPEHYIFHDCJDQL-SNVBAGLBSA-N 0 0 238.264 3.148 10 0 BGAERN Oc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000221038077 345862292 /nfs/dbraw/zinc/86/22/92/345862292.db2.gz FSCRLKYPWQTDMK-UHFFFAOYSA-N 0 0 236.274 3.449 10 0 BGAERN C[C@@]1(Nc2nc3ccccc3s2)CCCOC1 ZINC000221177629 134317204 /nfs/dbraw/zinc/31/72/04/134317204.db2.gz WVRZEQMGESJXAR-CYBMUJFWSA-N 0 0 248.351 3.277 10 0 BGAERN C[C@]1(Nc2nc3ccccc3s2)CCCOC1 ZINC000221177685 350199678 /nfs/dbraw/zinc/19/96/78/350199678.db2.gz WVRZEQMGESJXAR-ZDUSSCGKSA-N 0 0 248.351 3.277 10 0 BGAERN Fc1ccc(/C=C/Br)c(F)c1 ZINC000221194391 538554972 /nfs/dbraw/zinc/55/49/72/538554972.db2.gz ZCRAHMBYGBZAGE-ONEGZZNKSA-N 0 0 219.028 3.330 10 0 BGAERN COC1CC(Nc2ccc(C(F)(F)F)cc2)C1 ZINC000221251817 259363836 /nfs/dbraw/zinc/36/38/36/259363836.db2.gz CWSMPHKGLYAPKV-UHFFFAOYSA-N 0 0 245.244 3.295 10 0 BGAERN Nc1c(Cl)c(F)c(CF)c(F)c1Cl ZINC000221254411 350202805 /nfs/dbraw/zinc/20/28/05/350202805.db2.gz GHHIPKQNPYEHFW-UHFFFAOYSA-N 0 0 230.016 3.323 10 0 BGAERN Cc1c(F)c(C)c(Br)c(F)c1F ZINC000221254481 487962586 /nfs/dbraw/zinc/96/25/86/487962586.db2.gz YTUCYVYXGPVEIG-UHFFFAOYSA-N 0 0 239.034 3.483 10 0 BGAERN CNc1ccc(N2CCC(C)CC2)c(C)c1 ZINC000221302223 132291042 /nfs/dbraw/zinc/29/10/42/132291042.db2.gz WZKNAHKUGXUDDG-UHFFFAOYSA-N 0 0 218.344 3.273 10 0 BGAERN Fc1cncc(-n2ncc3c2cccc3Cl)c1 ZINC000221335128 350207331 /nfs/dbraw/zinc/20/73/31/350207331.db2.gz WREOMEXNRBNYFD-UHFFFAOYSA-N 0 0 247.660 3.213 10 0 BGAERN Clc1cccc2c1cnn2-c1cccnc1 ZINC000221352564 346994890 /nfs/dbraw/zinc/99/48/90/346994890.db2.gz YZJXZXBXNUOOBZ-UHFFFAOYSA-N 0 0 229.670 3.074 10 0 BGAERN Cc1ccc(NC2CCC(O)CC2)c(C)c1 ZINC000221374338 134323938 /nfs/dbraw/zinc/32/39/38/134323938.db2.gz IPGAEQHTOCFAEX-UHFFFAOYSA-N 0 0 219.328 3.019 10 0 BGAERN Cc1sc2n[nH]c(=S)n2c1-c1ccccc1 ZINC000221391069 345863869 /nfs/dbraw/zinc/86/38/69/345863869.db2.gz WDIDORAOHOJYBV-UHFFFAOYSA-N 0 0 247.348 3.429 10 0 BGAERN CCOC(=O)C1=CC[C@H](c2ccccc2)CC1 ZINC000221398011 345863875 /nfs/dbraw/zinc/86/38/75/345863875.db2.gz XWLAGMOMNKMUIP-ZDUSSCGKSA-N 0 0 230.307 3.444 10 0 BGAERN CCOC(=O)C1=CC[C@@H](c2ccccc2)CC1 ZINC000221398061 345863892 /nfs/dbraw/zinc/86/38/92/345863892.db2.gz XWLAGMOMNKMUIP-CYBMUJFWSA-N 0 0 230.307 3.444 10 0 BGAERN COCc1ccc2ccc(Cl)c(N)c2c1 ZINC000221436676 345863756 /nfs/dbraw/zinc/86/37/56/345863756.db2.gz IWSLBXDSCHIGJT-UHFFFAOYSA-N 0 0 221.687 3.222 10 0 BGAERN CCn1c2ccc(CO)cc2c2c1CCCCC2 ZINC000221680010 345864746 /nfs/dbraw/zinc/86/47/46/345864746.db2.gz XOTCEWSUJRCQFT-UHFFFAOYSA-N 0 0 243.350 3.422 10 0 BGAERN CCn1c2ccc(CO)cc2c2c1CCCC2 ZINC000221680108 345864467 /nfs/dbraw/zinc/86/44/67/345864467.db2.gz RRPUIOLYJMXVKI-UHFFFAOYSA-N 0 0 229.323 3.032 10 0 BGAERN CCn1c2ccc(CO)cc2c2cccc(F)c21 ZINC000221680363 344379329 /nfs/dbraw/zinc/37/93/29/344379329.db2.gz OKGODKIKMJMVTJ-UHFFFAOYSA-N 0 0 243.281 3.446 10 0 BGAERN CCn1c2ccc(CO)cc2c2ccc(F)cc21 ZINC000221680520 345864831 /nfs/dbraw/zinc/86/48/31/345864831.db2.gz NVDNYFLAWFUBFA-UHFFFAOYSA-N 0 0 243.281 3.446 10 0 BGAERN C[C@@]12CC[C@@](C)(C1)c1cc(C=O)ccc12 ZINC000221774974 388584322 /nfs/dbraw/zinc/58/43/22/388584322.db2.gz SQJZCFNKSHHOSW-KGLIPLIRSA-N 0 0 200.281 3.212 10 0 BGAERN CC(C)[C@@H](C)SC[C@@H](O)c1ccccc1 ZINC000221851752 592454638 /nfs/dbraw/zinc/45/46/38/592454638.db2.gz AJNJQEYXUCWRHP-DGCLKSJQSA-N 0 0 224.369 3.498 10 0 BGAERN CC(C)[C@H](C)SC[C@@H](O)c1ccccc1 ZINC000221851812 592454342 /nfs/dbraw/zinc/45/43/42/592454342.db2.gz AJNJQEYXUCWRHP-WCQYABFASA-N 0 0 224.369 3.498 10 0 BGAERN CC(C)[C@@H](C)SC[C@H](O)c1ccccc1 ZINC000221851880 592454686 /nfs/dbraw/zinc/45/46/86/592454686.db2.gz AJNJQEYXUCWRHP-YPMHNXCESA-N 0 0 224.369 3.498 10 0 BGAERN CC(C)[C@H](C)SC[C@H](O)c1ccccc1 ZINC000221851939 592454352 /nfs/dbraw/zinc/45/43/52/592454352.db2.gz AJNJQEYXUCWRHP-AAEUAGOBSA-N 0 0 224.369 3.498 10 0 BGAERN CC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2 ZINC000221868041 368358324 /nfs/dbraw/zinc/35/83/24/368358324.db2.gz OFNAPCKRJGTFAN-UHFFFAOYSA-N 0 0 218.296 3.122 10 0 BGAERN COC(=O)c1ccc(Cl)c(Cl)c1C ZINC000221903224 350225718 /nfs/dbraw/zinc/22/57/18/350225718.db2.gz ULPNWCXEVOVDPG-UHFFFAOYSA-N 0 0 219.067 3.088 10 0 BGAERN Cn1nccc1-c1cccc(C(F)(F)F)c1 ZINC000221941314 368362909 /nfs/dbraw/zinc/36/29/09/368362909.db2.gz KATXGIGYSUZHNO-UHFFFAOYSA-N 0 0 226.201 3.106 10 0 BGAERN O=C(Nc1ccccc1)O[C@@H]1C=C[C@H]2CC[C@@H]21 ZINC000222038450 635210443 /nfs/dbraw/zinc/21/04/43/635210443.db2.gz JGCSJDCNFISWCT-KGYLQXTDSA-N 0 0 229.279 3.200 10 0 BGAERN CCCCc1cc2c(C)cc(=O)oc2cc1O ZINC000222045244 368363281 /nfs/dbraw/zinc/36/32/81/368363281.db2.gz HFQWIKOETSTFKE-UHFFFAOYSA-N 0 0 232.279 3.150 10 0 BGAERN CCCc1[nH]c2ncnc(Cl)c2c1CC ZINC000222073985 350229440 /nfs/dbraw/zinc/22/94/40/350229440.db2.gz CCLGMTQQIHRKJE-UHFFFAOYSA-N 0 0 223.707 3.126 10 0 BGAERN CC(C)n1c(CCl)nc2cnc(Cl)cc21 ZINC000222088591 348208616 /nfs/dbraw/zinc/20/86/16/348208616.db2.gz LMUPVXGNPAPNQY-UHFFFAOYSA-N 0 0 244.125 3.404 10 0 BGAERN CC(C)n1ccc2cnc(Br)cc21 ZINC000222089566 348208598 /nfs/dbraw/zinc/20/85/98/348208598.db2.gz JYRZXZIRLSUVOR-UHFFFAOYSA-N 0 0 239.116 3.380 10 0 BGAERN C[C@]1(c2ccc(Br)cc2)CCO1 ZINC000222090718 592466894 /nfs/dbraw/zinc/46/68/94/592466894.db2.gz HHGDAOQADCPNMB-SNVBAGLBSA-N 0 0 227.101 3.085 10 0 BGAERN C[C@@]1(c2ccc(Br)cc2)CCO1 ZINC000222090778 592467581 /nfs/dbraw/zinc/46/75/81/592467581.db2.gz HHGDAOQADCPNMB-JTQLQIEISA-N 0 0 227.101 3.085 10 0 BGAERN Clc1cc2c(cn1)ncn2C1CCCC1 ZINC000222095463 350230528 /nfs/dbraw/zinc/23/05/28/350230528.db2.gz RXYAKRJYOFNVIR-UHFFFAOYSA-N 0 0 221.691 3.200 10 0 BGAERN COC(=O)c1sc2cc(C)ccc2c1C ZINC000222152028 368362895 /nfs/dbraw/zinc/36/28/95/368362895.db2.gz NRDUYMCLQRRUMI-UHFFFAOYSA-N 0 0 220.293 3.305 10 0 BGAERN Nc1ncnc2sc(-c3ccsc3)cc21 ZINC000222192205 388584267 /nfs/dbraw/zinc/58/42/67/388584267.db2.gz FJDCJUZCWWSODZ-UHFFFAOYSA-N 0 0 233.321 3.002 10 0 BGAERN CNc1ccc2oc(Cc3ccccc3)nc2c1 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/nfs/dbraw/zinc/36/34/45/368363445.db2.gz ZIUIDSOGISBGIZ-UHFFFAOYSA-N 0 0 228.748 3.119 10 0 BGAERN NC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000222273894 363163858 /nfs/dbraw/zinc/16/38/58/363163858.db2.gz WVCNZECVSWDKKA-UHFFFAOYSA-N 0 0 239.489 3.137 10 0 BGAERN Cc1csc2c1ncnc2N[C@@H](C)C(C)C ZINC000222279018 134330963 /nfs/dbraw/zinc/33/09/63/134330963.db2.gz MYKCNIAHMFSHIK-VIFPVBQESA-N 0 0 235.356 3.456 10 0 BGAERN Cc1csc2c1ncnc2N[C@H](C)C(C)C ZINC000222279072 134330962 /nfs/dbraw/zinc/33/09/62/134330962.db2.gz MYKCNIAHMFSHIK-SECBINFHSA-N 0 0 235.356 3.456 10 0 BGAERN O=Cc1cc2oc3ccccc3c2cc1O ZINC000222334079 358159262 /nfs/dbraw/zinc/15/92/62/358159262.db2.gz GLDVCHKRAOMXDM-UHFFFAOYSA-N 0 0 212.204 3.104 10 0 BGAERN C[C@@H]1CC[C@@](O)(c2ccccc2)[C@@H](C)C1 ZINC000222343643 388631391 /nfs/dbraw/zinc/63/13/91/388631391.db2.gz ZFLVDPHCAQURFU-DYEKYZERSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@](O)(c2ccccc2)[C@@H](C)C1 ZINC000222343748 259326925 /nfs/dbraw/zinc/32/69/25/259326925.db2.gz ZFLVDPHCAQURFU-MBNYWOFBSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1C=CC[C@@]23CC(=O)[C@@]12c1ccccc1CC3 ZINC000222348603 640480346 /nfs/dbraw/zinc/48/03/46/640480346.db2.gz YCYIYMHBQASZBV-JLZZUVOBSA-N 0 0 238.330 3.426 10 0 BGAERN O=C1C[C@@]23CC=CC[C@@]12CCc1ccccc13 ZINC000222348738 635703982 /nfs/dbraw/zinc/70/39/82/635703982.db2.gz VLXWLHQVUFYRQY-HZPDHXFCSA-N 0 0 224.303 3.180 10 0 BGAERN O=C1C[C@]23CC=CC[C@]12CCc1ccccc13 ZINC000222348909 640482311 /nfs/dbraw/zinc/48/23/11/640482311.db2.gz VLXWLHQVUFYRQY-HOTGVXAUSA-N 0 0 224.303 3.180 10 0 BGAERN C[C@@H]1CC[C@@H](C)[C@@](O)(c2cccs2)C1 ZINC000222353011 350901971 /nfs/dbraw/zinc/90/19/71/350901971.db2.gz LGDFPDWKCGFYTE-CKYFFXLPSA-N 0 0 210.342 3.392 10 0 BGAERN C[C@@H]1CC[C@H](C)[C@@](O)(c2cccs2)C1 ZINC000222353133 350901755 /nfs/dbraw/zinc/90/17/55/350901755.db2.gz LGDFPDWKCGFYTE-JFGNBEQYSA-N 0 0 210.342 3.392 10 0 BGAERN C[C@@H]1CC[C@@H](C)[C@@](O)(c2ccccc2)C1 ZINC000222364582 259552581 /nfs/dbraw/zinc/55/25/81/259552581.db2.gz KFDKEILKLSKJTO-YRGRVCCFSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@H](C)[C@@](O)(c2ccccc2)C1 ZINC000222364682 388633641 /nfs/dbraw/zinc/63/36/41/388633641.db2.gz KFDKEILKLSKJTO-MBNYWOFBSA-N 0 0 204.313 3.330 10 0 BGAERN C[C@@H]1CC[C@@H](O)[C@@H](CCC(F)(F)F)C1 ZINC000222416784 350954575 /nfs/dbraw/zinc/95/45/75/350954575.db2.gz CIUHTIAAWRAIIS-HRDYMLBCSA-N 0 0 210.239 3.126 10 0 BGAERN C[C@@H]1CC[C@H](O)[C@@H](CCC(F)(F)F)C1 ZINC000222416894 350954380 /nfs/dbraw/zinc/95/43/80/350954380.db2.gz CIUHTIAAWRAIIS-VGMNWLOBSA-N 0 0 210.239 3.126 10 0 BGAERN CC[C@@H]1CC[C@@H](O)[C@@H](CC(F)(F)F)C1 ZINC000222438341 350957877 /nfs/dbraw/zinc/95/78/77/350957877.db2.gz CYFFBSLUIARSIA-IWSPIJDZSA-N 0 0 210.239 3.126 10 0 BGAERN CC[C@@H]1CC[C@H](O)[C@@H](CC(F)(F)F)C1 ZINC000222438440 350241088 /nfs/dbraw/zinc/24/10/88/350241088.db2.gz CYFFBSLUIARSIA-HLTSFMKQSA-N 0 0 210.239 3.126 10 0 BGAERN C[C@@H](NCc1ccno1)c1ccc(Cl)s1 ZINC000222445858 488108460 /nfs/dbraw/zinc/10/84/60/488108460.db2.gz IQUMCLHTJRQATP-SSDOTTSWSA-N 0 0 242.731 3.240 10 0 BGAERN C[C@H](NCc1ccno1)c1ccc(Cl)s1 ZINC000222445922 488108096 /nfs/dbraw/zinc/10/80/96/488108096.db2.gz IQUMCLHTJRQATP-ZETCQYMHSA-N 0 0 242.731 3.240 10 0 BGAERN CCc1ccc(Br)c(F)c1F ZINC000222451703 387156393 /nfs/dbraw/zinc/15/63/93/387156393.db2.gz QBQPAFXTMRGLCT-UHFFFAOYSA-N 0 0 221.044 3.290 10 0 BGAERN CC(C)CCSC[C@@H](O)c1ccccc1 ZINC000222464276 640489165 /nfs/dbraw/zinc/48/91/65/640489165.db2.gz AUKKCDNGFRZHBH-CYBMUJFWSA-N 0 0 224.369 3.499 10 0 BGAERN CC(C)CCSC[C@H](O)c1ccccc1 ZINC000222464326 640490512 /nfs/dbraw/zinc/49/05/12/640490512.db2.gz AUKKCDNGFRZHBH-ZDUSSCGKSA-N 0 0 224.369 3.499 10 0 BGAERN CC[N@@H+]1CCCC[C@@H]1c1ccccc1F ZINC000222493520 350975803 /nfs/dbraw/zinc/97/58/03/350975803.db2.gz FHUNSHIQXIMFGE-CYBMUJFWSA-N 0 0 207.292 3.373 10 0 BGAERN CC[N@@H+]1CCCC[C@H]1c1ccccc1F ZINC000222493587 350975720 /nfs/dbraw/zinc/97/57/20/350975720.db2.gz FHUNSHIQXIMFGE-ZDUSSCGKSA-N 0 0 207.292 3.373 10 0 BGAERN Cc1cccc(OC(F)F)c1Br ZINC000222555514 350985313 /nfs/dbraw/zinc/98/53/13/350985313.db2.gz FZOVAAGXCQQOHX-UHFFFAOYSA-N 0 0 237.043 3.359 10 0 BGAERN COc1noc2c1cccc2-c1cnccc1C ZINC000222589540 344437430 /nfs/dbraw/zinc/43/74/30/344437430.db2.gz AQAVUOLJUTVGIV-UHFFFAOYSA-N 0 0 240.262 3.207 10 0 BGAERN O=Cc1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000222610686 368363001 /nfs/dbraw/zinc/36/30/01/368363001.db2.gz UFTZMZPCTMQJLZ-UHFFFAOYSA-N 0 0 243.228 3.118 10 0 BGAERN Cc1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000222730842 384806097 /nfs/dbraw/zinc/80/60/97/384806097.db2.gz FSKCPDOJPROEFU-UHFFFAOYSA-N 0 0 229.123 3.428 10 0 BGAERN Clc1cc(C2CCOCC2)cc(Cl)n1 ZINC000222761440 351016741 /nfs/dbraw/zinc/01/67/41/351016741.db2.gz DOWNRRNXMKVXKE-UHFFFAOYSA-N 0 0 232.110 3.282 10 0 BGAERN CCOC(=O)c1c(C)noc1-c1ccc(C)cc1 ZINC000222905542 398125781 /nfs/dbraw/zinc/12/57/81/398125781.db2.gz DDKODOQTAZTLDE-UHFFFAOYSA-N 0 0 245.278 3.135 10 0 BGAERN Cc1ccc(OC(F)(F)F)c(F)c1C ZINC000222908617 351159885 /nfs/dbraw/zinc/15/98/85/351159885.db2.gz MWQQCIJNXJZQOC-UHFFFAOYSA-N 0 0 208.154 3.341 10 0 BGAERN CCCc1c[nH]c(-c2cccc(Cl)n2)n1 ZINC000222917015 348227282 /nfs/dbraw/zinc/22/72/82/348227282.db2.gz MGPFZTZBEWYGKS-UHFFFAOYSA-N 0 0 221.691 3.078 10 0 BGAERN CC(C)c1c[nH]c(-c2cccc(Cl)n2)n1 ZINC000222922471 358216085 /nfs/dbraw/zinc/21/60/85/358216085.db2.gz SSSDJBDMRAKZCK-UHFFFAOYSA-N 0 0 221.691 3.249 10 0 BGAERN CCOc1cc(C=O)cc(Cl)c1Cl ZINC000222927150 170521390 /nfs/dbraw/zinc/52/13/90/170521390.db2.gz LQSKJMPKGSESRE-UHFFFAOYSA-N 0 0 219.067 3.205 10 0 BGAERN CC(C)(C)c1c[nH]c(-c2cccc(Cl)n2)n1 ZINC000222929227 348228219 /nfs/dbraw/zinc/22/82/19/348228219.db2.gz SZFLMPBQPGNZBG-UHFFFAOYSA-N 0 0 235.718 3.423 10 0 BGAERN CC(C)(C)OC(=O)C=C1CCC(F)(F)CC1 ZINC000222929360 592511256 /nfs/dbraw/zinc/51/12/56/592511256.db2.gz SZEWSNNPLHLSSD-UHFFFAOYSA-N 0 0 232.270 3.464 10 0 BGAERN CSc1ccc(-c2cc3cccnc3[nH]2)cn1 ZINC000222929567 350256464 /nfs/dbraw/zinc/25/64/64/350256464.db2.gz RUTYUPNDSWAWRG-UHFFFAOYSA-N 0 0 241.319 3.347 10 0 BGAERN Clc1cc2ccc(Br)nc2cn1 ZINC000222948881 491094821 /nfs/dbraw/zinc/09/48/21/491094821.db2.gz UFXOEBBDNYGXSM-UHFFFAOYSA-N 0 0 243.491 3.046 10 0 BGAERN C/C(=C\C(=O)NC(C)C)c1ccc(Cl)cc1 ZINC000223031582 348229175 /nfs/dbraw/zinc/22/91/75/348229175.db2.gz BDKZZQFHSUXWEU-CSKARUKUSA-N 0 0 237.730 3.268 10 0 BGAERN OC/C=C/c1ccc(-c2ccc(F)cc2)cc1 ZINC000223040268 350263964 /nfs/dbraw/zinc/26/39/64/350263964.db2.gz UKFONHKLCGHCJL-OWOJBTEDSA-N 0 0 228.266 3.498 10 0 BGAERN Clc1cnc(CNc2ccsc2)s1 ZINC000223044002 353127254 /nfs/dbraw/zinc/12/72/54/353127254.db2.gz KCOWMEUOXYHMSO-UHFFFAOYSA-N 0 0 230.745 3.470 10 0 BGAERN Cc1ccc2c(c1)OC1(CCCC1)CC2=O ZINC000223099468 368402505 /nfs/dbraw/zinc/40/25/05/368402505.db2.gz QTRCXGNURAYZKI-UHFFFAOYSA-N 0 0 216.280 3.273 10 0 BGAERN COC(=O)/C=C1/CCC[C@@H]1c1ccccc1 ZINC000223109427 582802985 /nfs/dbraw/zinc/80/29/85/582802985.db2.gz KVOTWNLFGAZEIK-KXXVWKPMSA-N 0 0 216.280 3.054 10 0 BGAERN COC(=O)/C=C1/CCC[C@H]1c1ccccc1 ZINC000223109556 592516927 /nfs/dbraw/zinc/51/69/27/592516927.db2.gz KVOTWNLFGAZEIK-UKVQZPPCSA-N 0 0 216.280 3.054 10 0 BGAERN CCOC(=O)c1ccc2[nH]c(C)c(CC)c2c1 ZINC000223115094 398274529 /nfs/dbraw/zinc/27/45/29/398274529.db2.gz OMUIIWHMZSGQAG-UHFFFAOYSA-N 0 0 231.295 3.215 10 0 BGAERN CCCCC[C@H](C(=O)OCC)c1ccc(N)cc1 ZINC000223120085 398274444 /nfs/dbraw/zinc/27/44/44/398274444.db2.gz KDTXWYKCSMITNA-AWEZNQCLSA-N 0 0 249.354 3.496 10 0 BGAERN CCCCC[C@@H](C(=O)OCC)c1ccc(N)cc1 ZINC000223120136 398274544 /nfs/dbraw/zinc/27/45/44/398274544.db2.gz KDTXWYKCSMITNA-CQSZACIVSA-N 0 0 249.354 3.496 10 0 BGAERN c1cnc2c(c1)cncc2NC1CCCCC1 ZINC000223136422 640537362 /nfs/dbraw/zinc/53/73/62/640537362.db2.gz CROFLIDPDUSBIC-UHFFFAOYSA-N 0 0 227.311 3.374 10 0 BGAERN C[C@@H]1CCCCN1c1cncc2cccnc21 ZINC000223136968 640537572 /nfs/dbraw/zinc/53/75/72/640537572.db2.gz DXXATTXRMXDHIJ-LLVKDONJSA-N 0 0 227.311 3.009 10 0 BGAERN C[C@H]1CCCCN1c1cncc2cccnc21 ZINC000223137025 640538703 /nfs/dbraw/zinc/53/87/03/640538703.db2.gz DXXATTXRMXDHIJ-NSHDSACASA-N 0 0 227.311 3.009 10 0 BGAERN C[C@@H]1C[C@@H](C)CN(c2cncc3cccnc32)C1 ZINC000223137185 640537712 /nfs/dbraw/zinc/53/77/12/640537712.db2.gz UXRCLJUKKQRZNR-VXGBXAGGSA-N 0 0 241.338 3.112 10 0 BGAERN C[C@@H]1C[C@H](C)CN(c2cncc3cccnc32)C1 ZINC000223137240 640537353 /nfs/dbraw/zinc/53/73/53/640537353.db2.gz UXRCLJUKKQRZNR-TXEJJXNPSA-N 0 0 241.338 3.112 10 0 BGAERN C[C@H]1C[C@H](C)CN(c2cncc3cccnc32)C1 ZINC000223137287 640538513 /nfs/dbraw/zinc/53/85/13/640538513.db2.gz UXRCLJUKKQRZNR-RYUDHWBXSA-N 0 0 241.338 3.112 10 0 BGAERN c1cnc2c(c1)cncc2N1CCCCCC1 ZINC000223139720 640537305 /nfs/dbraw/zinc/53/73/05/640537305.db2.gz OJLQMENCRCRUSK-UHFFFAOYSA-N 0 0 227.311 3.010 10 0 BGAERN c1ccc2c(c1)CCN2c1cncc2cccnc21 ZINC000223140632 640537669 /nfs/dbraw/zinc/53/76/69/640537669.db2.gz AYGXNDVYRRXXPE-UHFFFAOYSA-N 0 0 247.301 3.324 10 0 BGAERN CCC[C@@H](C)Nc1cncc2cccnc21 ZINC000223143019 640538697 /nfs/dbraw/zinc/53/86/97/640538697.db2.gz MHCJUSSIWDVICV-SNVBAGLBSA-N 0 0 215.300 3.230 10 0 BGAERN CCC[C@H](C)Nc1cncc2cccnc21 ZINC000223143089 640538185 /nfs/dbraw/zinc/53/81/85/640538185.db2.gz MHCJUSSIWDVICV-JTQLQIEISA-N 0 0 215.300 3.230 10 0 BGAERN COc1ccc(O/C(Cl)=C\Cl)cc1OC ZINC000223149790 353141325 /nfs/dbraw/zinc/14/13/25/353141325.db2.gz BHVBAABJIAJMCY-POHAHGRESA-N 0 0 249.093 3.359 10 0 BGAERN Cl/C=C(/Cl)Oc1ccc2c(c1)OCO2 ZINC000223157131 353156427 /nfs/dbraw/zinc/15/64/27/353156427.db2.gz YNZOKRRMHKXNTK-WTKPLQERSA-N 0 0 233.050 3.071 10 0 BGAERN Cc1cc(Cl)ncc1OCC(C)(F)F ZINC000223162863 398274635 /nfs/dbraw/zinc/27/46/35/398274635.db2.gz XYSDGKJRAFZZJU-UHFFFAOYSA-N 0 0 221.634 3.077 10 0 BGAERN O[C@@H](CC1CCCC1)c1ncc(Cl)s1 ZINC000223182917 353319257 /nfs/dbraw/zinc/31/92/57/353319257.db2.gz ZXMXCESCVQBEOS-QMMMGPOBSA-N 0 0 231.748 3.410 10 0 BGAERN O[C@H](CC1CCCC1)c1ncc(Cl)s1 ZINC000223182969 353319211 /nfs/dbraw/zinc/31/92/11/353319211.db2.gz ZXMXCESCVQBEOS-MRVPVSSYSA-N 0 0 231.748 3.410 10 0 BGAERN CC(=O)c1cnc(-c2ncc(Cl)s2)s1 ZINC000223211185 353360325 /nfs/dbraw/zinc/36/03/25/353360325.db2.gz BEGMNRZSMOJBGF-UHFFFAOYSA-N 0 0 244.728 3.123 10 0 BGAERN CC(=O)c1csc(-c2ncc(Cl)s2)n1 ZINC000223211261 353360411 /nfs/dbraw/zinc/36/04/11/353360411.db2.gz KGZWKXWICXQONK-UHFFFAOYSA-N 0 0 244.728 3.123 10 0 BGAERN Cc1ccc(NN=C(Cl)c2ccncc2)cc1 ZINC000223225793 398275392 /nfs/dbraw/zinc/27/53/92/398275392.db2.gz JGXSGCVHZLKGFP-LGMDPLHJSA-N 0 0 245.713 3.403 10 0 BGAERN C[C@@H]1CC(=O)C[C@H]2CCc3cc(Cl)ccc3N12 ZINC000223228876 358219464 /nfs/dbraw/zinc/21/94/64/358219464.db2.gz HQPMPFKLUHASMS-BXKDBHETSA-N 0 0 249.741 3.213 10 0 BGAERN C[C@H]1CC(=O)C[C@H]2CCc3cc(Cl)ccc3N21 ZINC000223228930 350270036 /nfs/dbraw/zinc/27/00/36/350270036.db2.gz HQPMPFKLUHASMS-JOYOIKCWSA-N 0 0 249.741 3.213 10 0 BGAERN C[C@H]1CC(=O)C[C@@H]2CCc3cc(Cl)ccc3N12 ZINC000223228997 487962545 /nfs/dbraw/zinc/96/25/45/487962545.db2.gz HQPMPFKLUHASMS-CABZTGNLSA-N 0 0 249.741 3.213 10 0 BGAERN Cc1cc(Cl)ncc1OCCC(F)(F)F ZINC000223278773 368365153 /nfs/dbraw/zinc/36/51/53/368365153.db2.gz CGNWZEUIKPKKCW-UHFFFAOYSA-N 0 0 239.624 3.375 10 0 BGAERN Cn1ccc2c1c(F)ccc2Br ZINC000223285353 386082816 /nfs/dbraw/zinc/08/28/16/386082816.db2.gz FPVJSMQLEACPNY-UHFFFAOYSA-N 0 0 228.064 3.080 10 0 BGAERN CC(C)Nc1cc(Cl)ncc1-c1cnco1 ZINC000223330711 348232668 /nfs/dbraw/zinc/23/26/68/348232668.db2.gz XPKZSJNRKUXFLP-UHFFFAOYSA-N 0 0 237.690 3.210 10 0 BGAERN CC1(C)Oc2cccc(O)c2-c2cnccc21 ZINC000223395447 368364118 /nfs/dbraw/zinc/36/41/18/368364118.db2.gz WHLUUEHMERZVNU-UHFFFAOYSA-N 0 0 227.263 3.082 10 0 BGAERN CCC/C=C/c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000223402564 348235243 /nfs/dbraw/zinc/23/52/43/348235243.db2.gz KRECRRWVTGYRJJ-SNAWJCMRSA-N 0 0 219.240 3.221 10 0 BGAERN C[C@H]1SCc2nc(Cl)nc(Cl)c21 ZINC000223464846 398127502 /nfs/dbraw/zinc/12/75/02/398127502.db2.gz QYPYZSRTCKTHKP-GSVOUGTGSA-N 0 0 221.112 3.091 10 0 BGAERN C[C@@H]1SCc2nc(Cl)nc(Cl)c21 ZINC000223464916 368364723 /nfs/dbraw/zinc/36/47/23/368364723.db2.gz QYPYZSRTCKTHKP-VKHMYHEASA-N 0 0 221.112 3.091 10 0 BGAERN C[C@H]1SCc2c1nc(Cl)nc2Cl ZINC000223469424 368360087 /nfs/dbraw/zinc/36/00/87/368360087.db2.gz CELWEVMHFJQSAE-GSVOUGTGSA-N 0 0 221.112 3.091 10 0 BGAERN C[C@@H]1SCc2c1nc(Cl)nc2Cl ZINC000223469497 368359804 /nfs/dbraw/zinc/35/98/04/368359804.db2.gz CELWEVMHFJQSAE-VKHMYHEASA-N 0 0 221.112 3.091 10 0 BGAERN CC(C)NC(=S)Nc1ccsc1Cl ZINC000223489658 356463641 /nfs/dbraw/zinc/46/36/41/356463641.db2.gz CIOPAKXDXJDXLM-UHFFFAOYSA-N 0 0 234.777 3.096 10 0 BGAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000223494998 358222116 /nfs/dbraw/zinc/22/21/16/358222116.db2.gz FRYTUIIDEFPMEV-YGRLFVJLSA-N 0 0 242.322 3.086 10 0 BGAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000223495055 358222290 /nfs/dbraw/zinc/22/22/90/358222290.db2.gz FRYTUIIDEFPMEV-HZMBPMFUSA-N 0 0 242.322 3.086 10 0 BGAERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc2[nH]ccc21 ZINC000223495114 358222179 /nfs/dbraw/zinc/22/21/79/358222179.db2.gz 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TZPMXGOSVCXELK-DAFODLJHSA-N 0 0 203.619 3.129 10 0 BGAERN Cc1cccc(-c2cccc(Cl)n2)n1 ZINC000225295930 358247678 /nfs/dbraw/zinc/24/76/78/358247678.db2.gz XEQLEPWJGZSURM-UHFFFAOYSA-N 0 0 204.660 3.105 10 0 BGAERN Cc1cc(CNC(=O)OC(C)(C)C)cs1 ZINC000225420724 370609000 /nfs/dbraw/zinc/60/90/00/370609000.db2.gz RZFPAVPSYVFYMS-UHFFFAOYSA-N 0 0 227.329 3.081 10 0 BGAERN CC1(C)C[C@@H]1c1noc(CNc2ccccc2)n1 ZINC000225476095 635409652 /nfs/dbraw/zinc/40/96/52/635409652.db2.gz SDLLLIMLQGLIRL-LLVKDONJSA-N 0 0 243.310 3.195 10 0 BGAERN CC1(C)C[C@H]1c1noc(CNc2ccccc2)n1 ZINC000225476130 635410418 /nfs/dbraw/zinc/41/04/18/635410418.db2.gz SDLLLIMLQGLIRL-NSHDSACASA-N 0 0 243.310 3.195 10 0 BGAERN Nc1c(Cl)c(Cl)ccc1Br ZINC000225490330 345156718 /nfs/dbraw/zinc/15/67/18/345156718.db2.gz XTMPOFIZXPVMOI-UHFFFAOYSA-N 0 0 240.915 3.338 10 0 BGAERN C/C=C/C=C\P(=O)(OCC)OCC ZINC000225578095 358254385 /nfs/dbraw/zinc/25/43/85/358254385.db2.gz OGJVWSFHBXWSJO-KNOZVELGSA-N 0 0 204.206 3.342 10 0 BGAERN OC1(C(F)(F)Br)CCCCCC1 ZINC000225637192 350369373 /nfs/dbraw/zinc/36/93/73/350369373.db2.gz XYIMJLGUWBPUBY-UHFFFAOYSA-N 0 0 243.091 3.059 10 0 BGAERN CCOC(=O)c1c(C)c(C)c2ccccc2c1O ZINC000225660082 348277598 /nfs/dbraw/zinc/27/75/98/348277598.db2.gz AIQDELIPDGYFGJ-UHFFFAOYSA-N 0 0 244.290 3.339 10 0 BGAERN CCOC(=N)Cc1ccc2cc(OC)ccc2c1 ZINC000225717241 368367786 /nfs/dbraw/zinc/36/77/86/368367786.db2.gz RDFHDNBVISLZLI-UHFFFAOYSA-N 0 0 243.306 3.405 10 0 BGAERN CCN(C)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225797083 371577832 /nfs/dbraw/zinc/57/78/32/371577832.db2.gz BMZDVQMLRLIGRL-UHFFFAOYSA-N 0 0 238.640 3.210 10 0 BGAERN CSc1cc(C(F)(F)F)cc(Cl)n1 ZINC000225835874 344667601 /nfs/dbraw/zinc/66/76/01/344667601.db2.gz ACCAYKUKQLMBLL-UHFFFAOYSA-N 0 0 227.638 3.476 10 0 BGAERN Cc1cncc(N[C@@H]2CCc3ccccc32)c1 ZINC000225853589 134356013 /nfs/dbraw/zinc/35/60/13/134356013.db2.gz BHBFSEMJWJFDLM-OAHLLOKOSA-N 0 0 224.307 3.489 10 0 BGAERN Cc1cncc(N[C@H]2CCc3ccccc32)c1 ZINC000225853605 134356248 /nfs/dbraw/zinc/35/62/48/134356248.db2.gz BHBFSEMJWJFDLM-HNNXBMFYSA-N 0 0 224.307 3.489 10 0 BGAERN c1nc([C@H]2C=C3CCCC[C@H]3CC2)c[nH]1 ZINC000225953161 385634297 /nfs/dbraw/zinc/63/42/97/385634297.db2.gz CUJYXBDKBVNGET-CMPLNLGQSA-N 0 0 202.301 3.404 10 0 BGAERN c1nc([C@@H]2C=C3CCCC[C@H]3CC2)c[nH]1 ZINC000225953171 350391818 /nfs/dbraw/zinc/39/18/18/350391818.db2.gz CUJYXBDKBVNGET-JQWIXIFHSA-N 0 0 202.301 3.404 10 0 BGAERN c1nc([C@H]2C=C3CCCC[C@@H]3CC2)c[nH]1 ZINC000225953177 385634779 /nfs/dbraw/zinc/63/47/79/385634779.db2.gz CUJYXBDKBVNGET-ZYHUDNBSSA-N 0 0 202.301 3.404 10 0 BGAERN c1nc([C@@H]2C=C3CCCC[C@@H]3CC2)c[nH]1 ZINC000225953188 385634493 /nfs/dbraw/zinc/63/44/93/385634493.db2.gz CUJYXBDKBVNGET-PWSUYJOCSA-N 0 0 202.301 3.404 10 0 BGAERN CCOC(=O)/C=C1\CCc2c1cccc2Cl ZINC000225953323 640718685 /nfs/dbraw/zinc/71/86/85/640718685.db2.gz SGOLPPKEIPRGIM-CMDGGOBGSA-N 0 0 236.698 3.233 10 0 BGAERN Oc1ccccc1NCc1ccsc1 ZINC000225977366 358960105 /nfs/dbraw/zinc/96/01/05/358960105.db2.gz XXDINIRJMNQNLB-UHFFFAOYSA-N 0 0 205.282 3.066 10 0 BGAERN c1ccc([C@H]2CCc3ccccc3N2)nc1 ZINC000226004861 371599427 /nfs/dbraw/zinc/59/94/27/371599427.db2.gz MEEDUDSGHMSDRL-CQSZACIVSA-N 0 0 210.280 3.181 10 0 BGAERN c1ccc([C@@H]2CCc3ccccc3N2)nc1 ZINC000226004872 371598080 /nfs/dbraw/zinc/59/80/80/371598080.db2.gz MEEDUDSGHMSDRL-AWEZNQCLSA-N 0 0 210.280 3.181 10 0 BGAERN Fc1cc(Cl)nc(NCc2ccccc2)c1 ZINC000226035375 348291376 /nfs/dbraw/zinc/29/13/76/348291376.db2.gz USVWZTWNKRXTGJ-UHFFFAOYSA-N 0 0 236.677 3.486 10 0 BGAERN CCCCCCOc1ccc(CCC(N)=O)cc1 ZINC000226109837 368368033 /nfs/dbraw/zinc/36/80/33/368368033.db2.gz KDLKDUOEEAOINK-UHFFFAOYSA-N 0 0 249.354 3.064 10 0 BGAERN COc1cccc(Cl)c1C(F)(F)F ZINC000226157877 175273294 /nfs/dbraw/zinc/27/32/94/175273294.db2.gz CYJDQSMFLQQUQP-UHFFFAOYSA-N 0 0 210.582 3.367 10 0 BGAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=S)[C@@H](C)C1 ZINC000226191492 350406997 /nfs/dbraw/zinc/40/69/97/350406997.db2.gz DNYKYPMVCKYWOO-KXUCPTDWSA-N 0 0 210.346 3.169 10 0 BGAERN C[C@@H]1CC[C@H](n2cc[nH]c2=S)[C@@H](C)C1 ZINC000226191502 350407245 /nfs/dbraw/zinc/40/72/45/350407245.db2.gz DNYKYPMVCKYWOO-UTLUCORTSA-N 0 0 210.346 3.169 10 0 BGAERN Cc1nn(C)cc1Nc1nc2ccccc2s1 ZINC000226226737 180376997 /nfs/dbraw/zinc/37/69/97/180376997.db2.gz BCBIHFSLWXXOEA-UHFFFAOYSA-N 0 0 244.323 3.082 10 0 BGAERN CC(C)OC(=O)NCCc1ccc(Cl)s1 ZINC000226227971 167163629 /nfs/dbraw/zinc/16/36/29/167163629.db2.gz SVBACTPGBBODFU-UHFFFAOYSA-N 0 0 247.747 3.079 10 0 BGAERN CCOC(=O)c1ccc(Cl)c(-n2cccc2)c1 ZINC000226244796 170295538 /nfs/dbraw/zinc/29/55/38/170295538.db2.gz JQMPPPVGXWZYHG-UHFFFAOYSA-N 0 0 249.697 3.307 10 0 BGAERN CCOC(=O)c1ccc(-n2cccc2)cc1Cl ZINC000226244849 170294704 /nfs/dbraw/zinc/29/47/04/170294704.db2.gz RNTGNYAGWLHHOB-UHFFFAOYSA-N 0 0 249.697 3.307 10 0 BGAERN CCOC(=O)c1cc(-n2cccc2)ccc1Cl ZINC000226244894 170290656 /nfs/dbraw/zinc/29/06/56/170290656.db2.gz KCLUMMXSQKBVBN-UHFFFAOYSA-N 0 0 249.697 3.307 10 0 BGAERN c1ccn(-c2cccc(-n3cccc3)c2)c1 ZINC000226245016 183334526 /nfs/dbraw/zinc/33/45/26/183334526.db2.gz JORPBRLAGIJRDY-UHFFFAOYSA-N 0 0 208.264 3.268 10 0 BGAERN Cc1ccc2c(cccc2-n2cccc2)n1 ZINC000226245061 388712359 /nfs/dbraw/zinc/71/23/59/388712359.db2.gz JFBVXJPWMMIVHB-UHFFFAOYSA-N 0 0 208.264 3.334 10 0 BGAERN c1ccn(-c2ccccc2N2CCCC2)c1 ZINC000226245948 183385927 /nfs/dbraw/zinc/38/59/27/183385927.db2.gz KOEQJJQDAKILPH-UHFFFAOYSA-N 0 0 212.296 3.078 10 0 BGAERN Cc1nc2cc(-n3cccc3)cc(C)c2o1 ZINC000226247856 180076854 /nfs/dbraw/zinc/07/68/54/180076854.db2.gz IFPITZCAHITQNF-UHFFFAOYSA-N 0 0 212.252 3.235 10 0 BGAERN CCc1nc2cc(-n3cccc3)cc(C)c2o1 ZINC000226247866 172010364 /nfs/dbraw/zinc/01/03/64/172010364.db2.gz YPMIYKCFMKSIOC-UHFFFAOYSA-N 0 0 226.279 3.489 10 0 BGAERN CCc1nc2cc(-n3cccc3)ccc2o1 ZINC000226247935 172010508 /nfs/dbraw/zinc/01/05/08/172010508.db2.gz KPHQSYHOCWUXFD-UHFFFAOYSA-N 0 0 212.252 3.181 10 0 BGAERN Cc1cc(N)cc2nc(C(C)(C)C)oc21 ZINC000226247962 398210426 /nfs/dbraw/zinc/21/04/26/398210426.db2.gz FABLYMBAKRVYQQ-UHFFFAOYSA-N 0 0 204.273 3.016 10 0 BGAERN Clc1cccc2nc3n(c21)CCCC3 ZINC000226251410 387947311 /nfs/dbraw/zinc/94/73/11/387947311.db2.gz INANVVHHMGSSOH-UHFFFAOYSA-N 0 0 206.676 3.026 10 0 BGAERN C[C@@H]1CCn2c3ccc(Cl)cc3nc2C1 ZINC000226251491 176240810 /nfs/dbraw/zinc/24/08/10/176240810.db2.gz CKYYCXJSMZGRNP-MRVPVSSYSA-N 0 0 220.703 3.272 10 0 BGAERN C[C@H]1CCn2c3ccc(Cl)cc3nc2C1 ZINC000226251497 177211206 /nfs/dbraw/zinc/21/12/06/177211206.db2.gz CKYYCXJSMZGRNP-QMMMGPOBSA-N 0 0 220.703 3.272 10 0 BGAERN C[C@@H]1CCn2c(nc3cccc(Cl)c32)C1 ZINC000226251512 176241541 /nfs/dbraw/zinc/24/15/41/176241541.db2.gz MLNSNBCDASXGPX-MRVPVSSYSA-N 0 0 220.703 3.272 10 0 BGAERN C[C@H]1CCn2c(nc3cccc(Cl)c32)C1 ZINC000226251523 177210969 /nfs/dbraw/zinc/21/09/69/177210969.db2.gz MLNSNBCDASXGPX-QMMMGPOBSA-N 0 0 220.703 3.272 10 0 BGAERN Cc1ccc2c(c1)nc1n2[C@@H](C)CCC1 ZINC000226251611 387277872 /nfs/dbraw/zinc/27/78/72/387277872.db2.gz ORGJHXZHGIJFRK-JTQLQIEISA-N 0 0 200.285 3.242 10 0 BGAERN Cc1ccc2c(c1)nc1n2[C@H](C)CCC1 ZINC000226251620 388712799 /nfs/dbraw/zinc/71/27/99/388712799.db2.gz ORGJHXZHGIJFRK-SNVBAGLBSA-N 0 0 200.285 3.242 10 0 BGAERN FC(F)(F)c1ccc2c(c1)nc1n2CCC1 ZINC000226252535 387946849 /nfs/dbraw/zinc/94/68/49/387946849.db2.gz KBYBPABKJWXBDM-UHFFFAOYSA-N 0 0 226.201 3.001 10 0 BGAERN NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000226256150 181211398 /nfs/dbraw/zinc/21/13/98/181211398.db2.gz CLIDPPRRVXCSRE-FNORWQNLSA-N 0 0 247.681 3.099 10 0 BGAERN Nc1nc2cc(C3CCCCC3)ccc2o1 ZINC000226270178 387330971 /nfs/dbraw/zinc/33/09/71/387330971.db2.gz CHOIIBCJHVZECJ-UHFFFAOYSA-N 0 0 216.284 3.458 10 0 BGAERN CNc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000226271156 388713634 /nfs/dbraw/zinc/71/36/34/388713634.db2.gz FSHGCGOOLVRJCH-UHFFFAOYSA-N 0 0 238.290 3.460 10 0 BGAERN C[C@@H](O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000226273772 387335869 /nfs/dbraw/zinc/33/58/69/387335869.db2.gz FZAVZVOMIZPJSA-SECBINFHSA-N 0 0 247.319 3.054 10 0 BGAERN C[C@H](O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000226273781 177016988 /nfs/dbraw/zinc/01/69/88/177016988.db2.gz FZAVZVOMIZPJSA-VIFPVBQESA-N 0 0 247.319 3.054 10 0 BGAERN CNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000226275451 388713972 /nfs/dbraw/zinc/71/39/72/388713972.db2.gz FTAZJEGXSQZGSU-UHFFFAOYSA-N 0 0 224.735 3.372 10 0 BGAERN CNc1ccc(N2CCCC[C@@H]2C)c(C)c1 ZINC000226275532 132291484 /nfs/dbraw/zinc/29/14/84/132291484.db2.gz ALAYPWDKBQKDRY-LBPRGKRZSA-N 0 0 218.344 3.416 10 0 BGAERN Cc1cc(-n2cccc2)ccc1N1CCCC1 ZINC000226276103 387337492 /nfs/dbraw/zinc/33/74/92/387337492.db2.gz YLIIRBGNRXVFEA-UHFFFAOYSA-N 0 0 226.323 3.386 10 0 BGAERN Cc1ccccc1-c1nc2cnccc2o1 ZINC000226281314 179238012 /nfs/dbraw/zinc/23/80/12/179238012.db2.gz VPAOFNIQRXPVEO-UHFFFAOYSA-N 0 0 210.236 3.198 10 0 BGAERN Cc1cccc(-c2nc3cnccc3o2)c1 ZINC000226281322 178997312 /nfs/dbraw/zinc/99/73/12/178997312.db2.gz XIMRUIAFRKOGTO-UHFFFAOYSA-N 0 0 210.236 3.198 10 0 BGAERN CCc1ccc(-c2nc3cnccc3o2)cc1 ZINC000226281354 388713530 /nfs/dbraw/zinc/71/35/30/388713530.db2.gz JOLRNTZEQXPYLQ-UHFFFAOYSA-N 0 0 224.263 3.452 10 0 BGAERN Fc1cccc(-c2nc3cnccc3o2)c1 ZINC000226281432 388713655 /nfs/dbraw/zinc/71/36/55/388713655.db2.gz LTBOJOJARSGSCQ-UHFFFAOYSA-N 0 0 214.199 3.029 10 0 BGAERN Fc1ccc(-c2nc3cnccc3o2)cc1 ZINC000226281441 388713431 /nfs/dbraw/zinc/71/34/31/388713431.db2.gz TUVAMKVYLMHPQW-UHFFFAOYSA-N 0 0 214.199 3.029 10 0 BGAERN CCNc1ccc(N2CCCCC2)c(F)c1 ZINC000226285000 535525060 /nfs/dbraw/zinc/52/50/60/535525060.db2.gz RTJUFAZUBAAQGZ-UHFFFAOYSA-N 0 0 222.307 3.248 10 0 BGAERN CCNc1ccc(N2CCCCC2)c(C)c1 ZINC000226285116 535525460 /nfs/dbraw/zinc/52/54/60/535525460.db2.gz DHWAIDDWXRJRJJ-UHFFFAOYSA-N 0 0 218.344 3.417 10 0 BGAERN CCNc1ccc(N2CCCC2)c(Cl)c1 ZINC000226285143 170174477 /nfs/dbraw/zinc/17/44/77/170174477.db2.gz CBWKJQVSOUATBM-UHFFFAOYSA-N 0 0 224.735 3.372 10 0 BGAERN CCNc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000226285453 170174000 /nfs/dbraw/zinc/17/40/00/170174000.db2.gz VUDXNKLRAIWCQG-UHFFFAOYSA-N 0 0 244.294 3.272 10 0 BGAERN CCNc1ccc(NC(=O)c2cccs2)cc1 ZINC000226285498 170174415 /nfs/dbraw/zinc/17/44/15/170174415.db2.gz JSSGCFAINDWUPK-UHFFFAOYSA-N 0 0 246.335 3.432 10 0 BGAERN CNc1ccc(NC(=O)c2cccs2)cc1 ZINC000226285699 388713783 /nfs/dbraw/zinc/71/37/83/388713783.db2.gz IRIIVMYAJZADMP-UHFFFAOYSA-N 0 0 232.308 3.042 10 0 BGAERN CNc1ccc(NC(=O)c2cccs2)c(C)c1 ZINC000226285710 388714145 /nfs/dbraw/zinc/71/41/45/388714145.db2.gz LLNUDCNJMRPLNE-UHFFFAOYSA-N 0 0 246.335 3.351 10 0 BGAERN CCCC(=O)Nc1ccc(NC)cc1Cl ZINC000226285980 168564038 /nfs/dbraw/zinc/56/40/38/168564038.db2.gz IYISJJTXOJANHC-UHFFFAOYSA-N 0 0 226.707 3.120 10 0 BGAERN CC(C)c1ccc([C@@H](O)c2cccc(N)c2)cc1 ZINC000226291545 167614468 /nfs/dbraw/zinc/61/44/68/167614468.db2.gz MWCHVMBKPQIFRE-MRXNPFEDSA-N 0 0 241.334 3.474 10 0 BGAERN CC(C)c1ccc([C@H](O)c2cccc(N)c2)cc1 ZINC000226291552 167618410 /nfs/dbraw/zinc/61/84/10/167618410.db2.gz MWCHVMBKPQIFRE-INIZCTEOSA-N 0 0 241.334 3.474 10 0 BGAERN Cc1ccc(C)c([C@@H](O)c2cccc(N)c2C)c1 ZINC000226291689 388714939 /nfs/dbraw/zinc/71/49/39/388714939.db2.gz OAQLXMSFAZHDDE-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc(C)c([C@H](O)c2cccc(N)c2C)c1 ZINC000226291696 178502220 /nfs/dbraw/zinc/50/22/20/178502220.db2.gz OAQLXMSFAZHDDE-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@@H](O)c2cccc(N)c2C)c(C)c1 ZINC000226291706 388715076 /nfs/dbraw/zinc/71/50/76/388715076.db2.gz PMHJTHWXZPVYFI-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2cccc(N)c2C)c(C)c1 ZINC000226291713 388714355 /nfs/dbraw/zinc/71/43/55/388714355.db2.gz PMHJTHWXZPVYFI-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@@H](O)c2cccc(N)c2C)cc1C ZINC000226291723 178869321 /nfs/dbraw/zinc/86/93/21/178869321.db2.gz GMKFLIXAXOBBLL-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2cccc(N)c2C)cc1C ZINC000226291728 178916476 /nfs/dbraw/zinc/91/64/76/178916476.db2.gz GMKFLIXAXOBBLL-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN CCc1ccc([C@@H](O)c2cccc(N)c2C)cc1 ZINC000226291763 171835556 /nfs/dbraw/zinc/83/55/56/171835556.db2.gz WDZADQQONBFMRA-MRXNPFEDSA-N 0 0 241.334 3.221 10 0 BGAERN CCc1ccc([C@H](O)c2cccc(N)c2C)cc1 ZINC000226291768 171844394 /nfs/dbraw/zinc/84/43/94/171844394.db2.gz WDZADQQONBFMRA-INIZCTEOSA-N 0 0 241.334 3.221 10 0 BGAERN CCc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1 ZINC000226292129 387354429 /nfs/dbraw/zinc/35/44/29/387354429.db2.gz PNYGFSZVJSXVTE-MRXNPFEDSA-N 0 0 241.334 3.221 10 0 BGAERN CCc1ccc([C@H](O)c2ccc(C)c(N)c2)cc1 ZINC000226292135 387356980 /nfs/dbraw/zinc/35/69/80/387356980.db2.gz PNYGFSZVJSXVTE-INIZCTEOSA-N 0 0 241.334 3.221 10 0 BGAERN Cc1ccc([C@@H](O)c2ccc(C)c(N)c2)cc1C ZINC000226292144 387356423 /nfs/dbraw/zinc/35/64/23/387356423.db2.gz XNKWPYPITAXZLK-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2ccc(C)c(N)c2)cc1C ZINC000226292153 388714877 /nfs/dbraw/zinc/71/48/77/388714877.db2.gz XNKWPYPITAXZLK-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@@H](O)c2ccc(C)c(N)c2)c(C)c1 ZINC000226292164 388714339 /nfs/dbraw/zinc/71/43/39/388714339.db2.gz MRYZKYNCPRGOPB-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2ccc(C)c(N)c2)c(C)c1 ZINC000226292170 388714385 /nfs/dbraw/zinc/71/43/85/388714385.db2.gz MRYZKYNCPRGOPB-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc(C)c([C@@H](O)c2ccc(C)c(N)c2)c1 ZINC000226292181 387357442 /nfs/dbraw/zinc/35/74/42/387357442.db2.gz YFEGWGXVZICTEL-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc(C)c([C@H](O)c2ccc(C)c(N)c2)c1 ZINC000226292189 178502164 /nfs/dbraw/zinc/50/21/64/178502164.db2.gz YFEGWGXVZICTEL-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN CCc1ccc([C@@H](O)c2ccc(N)c(C)c2)cc1 ZINC000226292958 171835695 /nfs/dbraw/zinc/83/56/95/171835695.db2.gz OGLSRTICYMQJDH-MRXNPFEDSA-N 0 0 241.334 3.221 10 0 BGAERN CCc1ccc([C@H](O)c2ccc(N)c(C)c2)cc1 ZINC000226292963 171844261 /nfs/dbraw/zinc/84/42/61/171844261.db2.gz OGLSRTICYMQJDH-INIZCTEOSA-N 0 0 241.334 3.221 10 0 BGAERN Cc1ccc([C@@H](O)c2ccc(N)c(C)c2)cc1C ZINC000226292975 178868780 /nfs/dbraw/zinc/86/87/80/178868780.db2.gz JDIYRLZSMJGPRZ-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2ccc(N)c(C)c2)cc1C ZINC000226292982 178916505 /nfs/dbraw/zinc/91/65/05/178916505.db2.gz JDIYRLZSMJGPRZ-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@@H](O)c2ccc(N)c(C)c2)c(C)c1 ZINC000226292994 388714895 /nfs/dbraw/zinc/71/48/95/388714895.db2.gz BTQYTNGNRFTEKJ-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc([C@H](O)c2ccc(N)c(C)c2)c(C)c1 ZINC000226293003 178916162 /nfs/dbraw/zinc/91/61/62/178916162.db2.gz BTQYTNGNRFTEKJ-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc(C)c([C@@H](O)c2ccc(N)c(C)c2)c1 ZINC000226293010 387359363 /nfs/dbraw/zinc/35/93/63/387359363.db2.gz JCWMRTLMUBEHSF-INIZCTEOSA-N 0 0 241.334 3.276 10 0 BGAERN Cc1ccc(C)c([C@H](O)c2ccc(N)c(C)c2)c1 ZINC000226293019 387359184 /nfs/dbraw/zinc/35/91/84/387359184.db2.gz JCWMRTLMUBEHSF-MRXNPFEDSA-N 0 0 241.334 3.276 10 0 BGAERN CCc1cc(N)cc(Cl)c1N(CC)CC ZINC000226315937 171761172 /nfs/dbraw/zinc/76/11/72/171761172.db2.gz IWZKSWIXZZLIOV-UHFFFAOYSA-N 0 0 226.751 3.331 10 0 BGAERN Nc1cc(Cl)c(Cl)c(Br)c1 ZINC000226316245 384972169 /nfs/dbraw/zinc/97/21/69/384972169.db2.gz SUTBXHPATPQJMZ-UHFFFAOYSA-N 0 0 240.915 3.338 10 0 BGAERN CCc1cc(N)ccc1NC1CCCC1 ZINC000226317140 384972889 /nfs/dbraw/zinc/97/28/89/384972889.db2.gz MXGYJVFCVWKKNF-UHFFFAOYSA-N 0 0 204.317 3.186 10 0 BGAERN C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Br)s1 ZINC000226402685 350427650 /nfs/dbraw/zinc/42/76/50/350427650.db2.gz YAHPVZGOIXFGFY-HCVRKRLWSA-N 0 0 246.173 3.166 10 0 BGAERN CCC[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000226403048 169512797 /nfs/dbraw/zinc/51/27/97/169512797.db2.gz CAFWTGATHDKOHY-UTUOFQBUSA-N 0 0 241.375 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)[O-] ZINC000226403062 169513695 /nfs/dbraw/zinc/51/36/95/169513695.db2.gz CAFWTGATHDKOHY-WOPDTQHZSA-N 0 0 241.375 3.044 10 0 BGAERN Cc1ccc(Oc2cncc(Cl)n2)cc1F ZINC000226417474 178822065 /nfs/dbraw/zinc/82/20/65/178822065.db2.gz ZAFLSIPBRMYWRH-UHFFFAOYSA-N 0 0 238.649 3.370 10 0 BGAERN CCNc1nc(Cl)c(Cl)cc1Cl ZINC000226490235 363434720 /nfs/dbraw/zinc/43/47/20/363434720.db2.gz QOVWBNOTIYAVRE-UHFFFAOYSA-N 0 0 225.506 3.474 10 0 BGAERN CCN(C)c1nc(Cl)c(Cl)cc1Cl ZINC000226491482 371681591 /nfs/dbraw/zinc/68/15/91/371681591.db2.gz PLSCAEXYBSPGIL-UHFFFAOYSA-N 0 0 239.533 3.498 10 0 BGAERN Clc1cc(Cl)c(-n2ccnc2)nc1Cl ZINC000226516690 371686964 /nfs/dbraw/zinc/68/69/64/371686964.db2.gz IVJYKYSDCOJHNH-UHFFFAOYSA-N 0 0 248.500 3.228 10 0 BGAERN CC(=O)c1ccc(C(F)(F)F)cc1C ZINC000226518697 371686943 /nfs/dbraw/zinc/68/69/43/371686943.db2.gz DODDUWJIBQLCOZ-UHFFFAOYSA-N 0 0 202.175 3.216 10 0 BGAERN CC(C)(C)Nc1nc(N)c(Cl)cc1Cl ZINC000226548020 371692879 /nfs/dbraw/zinc/69/28/79/371692879.db2.gz KJVPPRVVTLVWFT-UHFFFAOYSA-N 0 0 234.130 3.181 10 0 BGAERN Cc1cnc([C@@H](C)Nc2nc3ccccc3o2)o1 ZINC000226548116 134365986 /nfs/dbraw/zinc/36/59/86/134365986.db2.gz VSRLMPXJYJUDSH-SECBINFHSA-N 0 0 243.266 3.297 10 0 BGAERN Cc1cnc([C@H](C)Nc2nc3ccccc3o2)o1 ZINC000226548122 134366305 /nfs/dbraw/zinc/36/63/05/134366305.db2.gz VSRLMPXJYJUDSH-VIFPVBQESA-N 0 0 243.266 3.297 10 0 BGAERN N[C@@H](c1cccc(Cl)c1Cl)C(F)F ZINC000226550043 371694840 /nfs/dbraw/zinc/69/48/40/371694840.db2.gz MRQAWVRDQZCRSK-ZETCQYMHSA-N 0 0 226.053 3.258 10 0 BGAERN N[C@H](c1cccc(Cl)c1Cl)C(F)F ZINC000226550049 371694921 /nfs/dbraw/zinc/69/49/21/371694921.db2.gz MRQAWVRDQZCRSK-SSDOTTSWSA-N 0 0 226.053 3.258 10 0 BGAERN N[C@@H](c1cc(Cl)ccc1Cl)C(F)F ZINC000226553534 371696769 /nfs/dbraw/zinc/69/67/69/371696769.db2.gz JCAZEZFSKFNOFV-ZETCQYMHSA-N 0 0 226.053 3.258 10 0 BGAERN N[C@H](c1cc(Cl)ccc1Cl)C(F)F ZINC000226553540 371697181 /nfs/dbraw/zinc/69/71/81/371697181.db2.gz JCAZEZFSKFNOFV-SSDOTTSWSA-N 0 0 226.053 3.258 10 0 BGAERN N[C@@H](c1ccc(Cl)c(Cl)c1)C(F)F ZINC000226553961 342815030 /nfs/dbraw/zinc/81/50/30/342815030.db2.gz DTSLNYJJUWOPMV-ZETCQYMHSA-N 0 0 226.053 3.258 10 0 BGAERN N[C@H](c1ccc(Cl)c(Cl)c1)C(F)F ZINC000226553969 342815056 /nfs/dbraw/zinc/81/50/56/342815056.db2.gz DTSLNYJJUWOPMV-SSDOTTSWSA-N 0 0 226.053 3.258 10 0 BGAERN C[C@@H](NO)c1cccc(Cl)c1Cl ZINC000226555871 371696889 /nfs/dbraw/zinc/69/68/89/371696889.db2.gz VLOMHVXRJAFHIZ-RXMQYKEDSA-N 0 0 206.072 3.033 10 0 BGAERN C[C@H](NO)c1cccc(Cl)c1Cl ZINC000226555882 371696528 /nfs/dbraw/zinc/69/65/28/371696528.db2.gz VLOMHVXRJAFHIZ-YFKPBYRVSA-N 0 0 206.072 3.033 10 0 BGAERN CC[C@@H](C)Nc1nc(N)c(Cl)cc1Cl ZINC000226557371 342822055 /nfs/dbraw/zinc/82/20/55/342822055.db2.gz JIYPXGKYGHFUPT-RXMQYKEDSA-N 0 0 234.130 3.181 10 0 BGAERN CC[C@H](C)Nc1nc(N)c(Cl)cc1Cl ZINC000226557375 342822083 /nfs/dbraw/zinc/82/20/83/342822083.db2.gz JIYPXGKYGHFUPT-YFKPBYRVSA-N 0 0 234.130 3.181 10 0 BGAERN CC(C)c1c(N)n[nH]c1[C@@H]1CCC[C@@H]1C ZINC000226598410 640775319 /nfs/dbraw/zinc/77/53/19/640775319.db2.gz SRYZMLQXHPHGLC-DTWKUNHWSA-N 0 0 207.321 3.019 10 0 BGAERN CC(C)c1c(N)n[nH]c1[C@H]1CCC[C@@H]1C ZINC000226598415 640776764 /nfs/dbraw/zinc/77/67/64/640776764.db2.gz SRYZMLQXHPHGLC-IUCAKERBSA-N 0 0 207.321 3.019 10 0 BGAERN CC(C)c1c(N)n[nH]c1[C@@H]1CCC[C@H]1C ZINC000226598421 640775900 /nfs/dbraw/zinc/77/59/00/640775900.db2.gz SRYZMLQXHPHGLC-RKDXNWHRSA-N 0 0 207.321 3.019 10 0 BGAERN CC(C)c1c(N)n[nH]c1[C@H]1CCC[C@H]1C ZINC000226598427 640776689 /nfs/dbraw/zinc/77/66/89/640776689.db2.gz SRYZMLQXHPHGLC-BDAKNGLRSA-N 0 0 207.321 3.019 10 0 BGAERN C[C@@H]1CCC[C@@H]1C(=O)Cc1cccs1 ZINC000226598975 350442270 /nfs/dbraw/zinc/44/22/70/350442270.db2.gz PDNXNRXBQKSYIH-KOLCDFICSA-N 0 0 208.326 3.296 10 0 BGAERN C[C@H]1CCC[C@@H]1C(=O)Cc1cccs1 ZINC000226598982 342905351 /nfs/dbraw/zinc/90/53/51/342905351.db2.gz PDNXNRXBQKSYIH-ONGXEEELSA-N 0 0 208.326 3.296 10 0 BGAERN C[C@@H]1CCC[C@H]1C(=O)Cc1cccs1 ZINC000226598988 342905297 /nfs/dbraw/zinc/90/52/97/342905297.db2.gz PDNXNRXBQKSYIH-MWLCHTKSSA-N 0 0 208.326 3.296 10 0 BGAERN C[C@H]1CCC[C@H]1C(=O)Cc1cccs1 ZINC000226598993 342905431 /nfs/dbraw/zinc/90/54/31/342905431.db2.gz PDNXNRXBQKSYIH-GXSJLCMTSA-N 0 0 208.326 3.296 10 0 BGAERN CC(C)(C)Oc1nc(N)c(Cl)cc1Cl ZINC000226625074 350443066 /nfs/dbraw/zinc/44/30/66/350443066.db2.gz LHLCNFWYWPFXQB-UHFFFAOYSA-N 0 0 235.114 3.148 10 0 BGAERN CC[C@@H](C)Oc1nc(N)c(Cl)cc1Cl ZINC000226626755 343740757 /nfs/dbraw/zinc/74/07/57/343740757.db2.gz DWPSEXDEHDFHQG-RXMQYKEDSA-N 0 0 235.114 3.148 10 0 BGAERN CC[C@H](C)Oc1nc(N)c(Cl)cc1Cl ZINC000226626759 343740665 /nfs/dbraw/zinc/74/06/65/343740665.db2.gz DWPSEXDEHDFHQG-YFKPBYRVSA-N 0 0 235.114 3.148 10 0 BGAERN CCSc1nc(N)c(Cl)cc1Cl ZINC000226634509 371711690 /nfs/dbraw/zinc/71/16/90/371711690.db2.gz CANVZNXHGWTRAR-UHFFFAOYSA-N 0 0 223.128 3.083 10 0 BGAERN CC(C)Sc1nc(N)c(Cl)cc1Cl ZINC000226635492 371711572 /nfs/dbraw/zinc/71/15/72/371711572.db2.gz RTWMWNMYLMWLHN-UHFFFAOYSA-N 0 0 237.155 3.471 10 0 BGAERN CNc1nc(SC)c(Cl)cc1Cl ZINC000226635575 371711481 /nfs/dbraw/zinc/71/14/81/371711481.db2.gz ZOJWZKVZMOWVFG-UHFFFAOYSA-N 0 0 223.128 3.152 10 0 BGAERN Cc1cc(C(=O)C2CC2)sc1Cl ZINC000226654078 350445794 /nfs/dbraw/zinc/44/57/94/350445794.db2.gz VECGJDIVZPKULF-UHFFFAOYSA-N 0 0 200.690 3.303 10 0 BGAERN Cc1cc(C(=O)[C@@]2(C)CCCO2)sc1Cl ZINC000226654538 371717958 /nfs/dbraw/zinc/71/79/58/371717958.db2.gz DDRPIPWKLXYQAT-LLVKDONJSA-N 0 0 244.743 3.462 10 0 BGAERN Cc1cc(C(=O)[C@]2(C)CCCO2)sc1Cl ZINC000226654545 371717376 /nfs/dbraw/zinc/71/73/76/371717376.db2.gz DDRPIPWKLXYQAT-NSHDSACASA-N 0 0 244.743 3.462 10 0 BGAERN Cc1cc(C(=O)C(F)(F)F)sc1Cl ZINC000226656708 371717454 /nfs/dbraw/zinc/71/74/54/371717454.db2.gz GIYLOXFYAXOBLT-UHFFFAOYSA-N 0 0 228.622 3.455 10 0 BGAERN Cc1cc([C@@H](N)C(F)(F)F)sc1Cl ZINC000226662908 350446007 /nfs/dbraw/zinc/44/60/07/350446007.db2.gz JDYSQSNWOBQZOX-RXMQYKEDSA-N 0 0 229.654 3.272 10 0 BGAERN Cc1cc([C@H](N)C(F)(F)F)sc1Cl ZINC000226662918 371719491 /nfs/dbraw/zinc/71/94/91/371719491.db2.gz JDYSQSNWOBQZOX-YFKPBYRVSA-N 0 0 229.654 3.272 10 0 BGAERN Cc1cc(-c2csc(N)n2)sc1Cl ZINC000226680402 371721399 /nfs/dbraw/zinc/72/13/99/371721399.db2.gz CCWRDLJHHMUXEU-UHFFFAOYSA-N 0 0 230.745 3.416 10 0 BGAERN Cc1cc([C@H](O)[C@@H]2C[C@@H]2C)sc1Cl ZINC000226681781 371722993 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/nfs/dbraw/zinc/44/33/94/169443394.db2.gz VTHSIZVUNXMINX-GMSGAONNSA-N 0 0 228.698 3.475 10 0 BGAERN CCC[C@H]1C[C@H]1Nc1ncc(Cl)cc1F ZINC000227079802 385085112 /nfs/dbraw/zinc/08/51/12/385085112.db2.gz VTHSIZVUNXMINX-OIBJUYFYSA-N 0 0 228.698 3.475 10 0 BGAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](CCF)C1 ZINC000227297697 371826123 /nfs/dbraw/zinc/82/61/23/371826123.db2.gz LGJYJTYCKFVINQ-HBNTYKKESA-N 0 0 202.313 3.169 10 0 BGAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](CCF)C1 ZINC000227297712 371826106 /nfs/dbraw/zinc/82/61/06/371826106.db2.gz LGJYJTYCKFVINQ-AXFHLTTASA-N 0 0 202.313 3.169 10 0 BGAERN CCCC[C@@H](CCC)NC(=O)c1ccccc1N ZINC000227423540 259632051 /nfs/dbraw/zinc/63/20/51/259632051.db2.gz AAHBUJGEORLSGX-GFCCVEGCSA-N 0 0 248.370 3.358 10 0 BGAERN CCCC[C@H](CCC)NC(=O)c1ccccc1N ZINC000227423544 259631962 /nfs/dbraw/zinc/63/19/62/259631962.db2.gz AAHBUJGEORLSGX-LBPRGKRZSA-N 0 0 248.370 3.358 10 0 BGAERN Cc1nn(C)cc1-c1ccc(C(=O)C2CC2)s1 ZINC000227507813 487962668 /nfs/dbraw/zinc/96/26/68/487962668.db2.gz XNXBZUJNIPUWAU-UHFFFAOYSA-N 0 0 246.335 3.050 10 0 BGAERN c1nnsc1NC1CCCCCCC1 ZINC000227514142 371878712 /nfs/dbraw/zinc/87/87/12/371878712.db2.gz UMQYYDRILILAIL-UHFFFAOYSA-N 0 0 211.334 3.063 10 0 BGAERN Cc1cnc([C@@H](C)NCc2cc(F)ccc2C)o1 ZINC000227555470 134383461 /nfs/dbraw/zinc/38/34/61/134383461.db2.gz JUBNECKBYBNSKX-LLVKDONJSA-N 0 0 248.301 3.281 10 0 BGAERN Cc1cnc([C@H](C)NCc2cc(F)ccc2C)o1 ZINC000227555475 134383498 /nfs/dbraw/zinc/38/34/98/134383498.db2.gz JUBNECKBYBNSKX-NSHDSACASA-N 0 0 248.301 3.281 10 0 BGAERN Cc1cnc([C@@H](C)NCc2ccc(F)cc2C)o1 ZINC000227555896 134383412 /nfs/dbraw/zinc/38/34/12/134383412.db2.gz CNSLTDVIGCFGDR-LLVKDONJSA-N 0 0 248.301 3.281 10 0 BGAERN Cc1cnc([C@H](C)NCc2ccc(F)cc2C)o1 ZINC000227555900 134383387 /nfs/dbraw/zinc/38/33/87/134383387.db2.gz CNSLTDVIGCFGDR-NSHDSACASA-N 0 0 248.301 3.281 10 0 BGAERN Cc1cnc([C@@H](C)NCc2cc(C)cc(C)c2)o1 ZINC000227556283 134383143 /nfs/dbraw/zinc/38/31/43/134383143.db2.gz FTLSVRPOVBORKH-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cnc([C@H](C)NCc2cc(C)cc(C)c2)o1 ZINC000227556291 134383442 /nfs/dbraw/zinc/38/34/42/134383442.db2.gz FTLSVRPOVBORKH-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cnc([C@@H](C)NCc2cccc(C)c2C)o1 ZINC000227556425 134383105 /nfs/dbraw/zinc/38/31/05/134383105.db2.gz XQFOYMKPDSBRHG-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1cnc([C@H](C)NCc2cccc(C)c2C)o1 ZINC000227556432 134383510 /nfs/dbraw/zinc/38/35/10/134383510.db2.gz XQFOYMKPDSBRHG-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1occc1Sc1cc(Cl)nc(C)n1 ZINC000227586098 388367769 /nfs/dbraw/zinc/36/77/69/388367769.db2.gz NVXKTZNADQPIBE-UHFFFAOYSA-N 0 0 240.715 3.491 10 0 BGAERN CC(C)(C)OC(=O)Nc1ccc(NC2CC2)cn1 ZINC000227621275 344667543 /nfs/dbraw/zinc/66/75/43/344667543.db2.gz PICQQOGESFEZEO-UHFFFAOYSA-N 0 0 249.314 3.003 10 0 BGAERN CC1CCC(Oc2ccnc(F)c2)CC1 ZINC000227637644 371911676 /nfs/dbraw/zinc/91/16/76/371911676.db2.gz ODLHTCUKQIFSME-UHFFFAOYSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccnc(F)c1 ZINC000227637667 344694906 /nfs/dbraw/zinc/69/49/06/344694906.db2.gz FHUJAHHNXSISLM-KOLCDFICSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccnc(F)c1 ZINC000227637670 344694706 /nfs/dbraw/zinc/69/47/06/344694706.db2.gz FHUJAHHNXSISLM-ONGXEEELSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccnc(F)c1 ZINC000227637674 344694922 /nfs/dbraw/zinc/69/49/22/344694922.db2.gz FHUJAHHNXSISLM-MWLCHTKSSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccnc(F)c1 ZINC000227637676 344694841 /nfs/dbraw/zinc/69/48/41/344694841.db2.gz FHUJAHHNXSISLM-GXSJLCMTSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2ccnc(F)c2)C1 ZINC000227637841 344696045 /nfs/dbraw/zinc/69/60/45/344696045.db2.gz POPWCDHLRWXKKU-NXEZZACHSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2ccnc(F)c2)C1 ZINC000227637847 371911171 /nfs/dbraw/zinc/91/11/71/371911171.db2.gz POPWCDHLRWXKKU-VHSXEESVSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2ccnc(F)c2)C1 ZINC000227637849 371911520 /nfs/dbraw/zinc/91/15/20/371911520.db2.gz POPWCDHLRWXKKU-ZJUUUORDSA-N 0 0 209.264 3.178 10 0 BGAERN C[C@H]1CCC[C@H](Oc2ccnc(F)c2)C1 ZINC000227637854 371911237 /nfs/dbraw/zinc/91/12/37/371911237.db2.gz POPWCDHLRWXKKU-UWVGGRQHSA-N 0 0 209.264 3.178 10 0 BGAERN Cc1ccc(Oc2ccnc(F)c2)cc1 ZINC000227637988 371911241 /nfs/dbraw/zinc/91/12/41/371911241.db2.gz QDCMPWBYBXZNHE-UHFFFAOYSA-N 0 0 203.216 3.321 10 0 BGAERN Fc1cc(Oc2ccccc2F)ccn1 ZINC000227638059 371911824 /nfs/dbraw/zinc/91/18/24/371911824.db2.gz KGFRZNKRGVWATM-UHFFFAOYSA-N 0 0 207.179 3.152 10 0 BGAERN Cc1cccc(Oc2ccnc(F)c2)c1 ZINC000227638100 371911249 /nfs/dbraw/zinc/91/12/49/371911249.db2.gz ZOLLIDHUBILAFW-UHFFFAOYSA-N 0 0 203.216 3.321 10 0 BGAERN Fc1ccc(Oc2ccnc(F)c2)cc1 ZINC000227638269 350504656 /nfs/dbraw/zinc/50/46/56/350504656.db2.gz IPWSGXLPLJXRPW-UHFFFAOYSA-N 0 0 207.179 3.152 10 0 BGAERN Fc1cccc(Oc2ccnc(F)c2)c1 ZINC000227638302 371911464 /nfs/dbraw/zinc/91/14/64/371911464.db2.gz DYRADYCHKWOFDD-UHFFFAOYSA-N 0 0 207.179 3.152 10 0 BGAERN Fc1cc(OCC2CCCCC2)ccn1 ZINC000227638533 344696199 /nfs/dbraw/zinc/69/61/99/344696199.db2.gz ZFRXWGMTKOXZPG-UHFFFAOYSA-N 0 0 209.264 3.180 10 0 BGAERN Fc1cc(Oc2cncc(Cl)c2)ccn1 ZINC000227638683 371911099 /nfs/dbraw/zinc/91/10/99/371911099.db2.gz AGKBVJRFAQHVIE-UHFFFAOYSA-N 0 0 224.622 3.061 10 0 BGAERN Cc1ccccc1Nc1ccnc(F)c1 ZINC000227639108 371911901 /nfs/dbraw/zinc/91/19/01/371911901.db2.gz FTGZOEWMYLQVJC-UHFFFAOYSA-N 0 0 202.232 3.273 10 0 BGAERN Fc1ccc(Nc2ccnc(F)c2)cc1 ZINC000227639334 371911245 /nfs/dbraw/zinc/91/12/45/371911245.db2.gz DRVYKUZABCYYJH-UHFFFAOYSA-N 0 0 206.195 3.103 10 0 BGAERN Fc1cc(Nc2ccccc2F)ccn1 ZINC000227639343 371911113 /nfs/dbraw/zinc/91/11/13/371911113.db2.gz VGCIBVIBZLVCFV-UHFFFAOYSA-N 0 0 206.195 3.103 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Nc1ccnc(F)c1 ZINC000227639988 344699485 /nfs/dbraw/zinc/69/94/85/344699485.db2.gz KNJNSZSSXUHHFK-KOLCDFICSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@H]1CCCC[C@@H]1Nc1ccnc(F)c1 ZINC000227639994 344699375 /nfs/dbraw/zinc/69/93/75/344699375.db2.gz KNJNSZSSXUHHFK-ONGXEEELSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@@H]1CCCC[C@H]1Nc1ccnc(F)c1 ZINC000227639998 344699062 /nfs/dbraw/zinc/69/90/62/344699062.db2.gz KNJNSZSSXUHHFK-MWLCHTKSSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@H]1CCCC[C@H]1Nc1ccnc(F)c1 ZINC000227640002 344699482 /nfs/dbraw/zinc/69/94/82/344699482.db2.gz KNJNSZSSXUHHFK-GXSJLCMTSA-N 0 0 208.280 3.211 10 0 BGAERN CC1CCC(Nc2ccnc(F)c2)CC1 ZINC000227640094 371911891 /nfs/dbraw/zinc/91/18/91/371911891.db2.gz CSPNTYQRMPQAHC-UHFFFAOYSA-N 0 0 208.280 3.211 10 0 BGAERN Fc1cc(NC2CCCCCC2)ccn1 ZINC000227640136 371911307 /nfs/dbraw/zinc/91/13/07/371911307.db2.gz DWMNMPGFKRXUNI-UHFFFAOYSA-N 0 0 208.280 3.355 10 0 BGAERN C[C@@H]1CCC[C@@H](Nc2ccnc(F)c2)C1 ZINC000227640346 371911416 /nfs/dbraw/zinc/91/14/16/371911416.db2.gz FDQYBVUZUMFDRF-NXEZZACHSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@H]1CCC[C@@H](Nc2ccnc(F)c2)C1 ZINC000227640350 371911658 /nfs/dbraw/zinc/91/16/58/371911658.db2.gz FDQYBVUZUMFDRF-VHSXEESVSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@@H]1CCC[C@H](Nc2ccnc(F)c2)C1 ZINC000227640355 371911180 /nfs/dbraw/zinc/91/11/80/371911180.db2.gz FDQYBVUZUMFDRF-ZJUUUORDSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@H]1CCC[C@H](Nc2ccnc(F)c2)C1 ZINC000227640361 371911151 /nfs/dbraw/zinc/91/11/51/371911151.db2.gz FDQYBVUZUMFDRF-UWVGGRQHSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@@H](Nc1ccnc(F)c1)c1cccs1 ZINC000227640636 371911392 /nfs/dbraw/zinc/91/13/92/371911392.db2.gz ZJWNGNMIFXJFNB-MRVPVSSYSA-N 0 0 222.288 3.455 10 0 BGAERN C[C@H](Nc1ccnc(F)c1)c1cccs1 ZINC000227640641 371911363 /nfs/dbraw/zinc/91/13/63/371911363.db2.gz ZJWNGNMIFXJFNB-QMMMGPOBSA-N 0 0 222.288 3.455 10 0 BGAERN Cc1ccc(CNc2ccnc(F)c2)s1 ZINC000227643142 371913101 /nfs/dbraw/zinc/91/31/01/371913101.db2.gz QCDQKHGZESZAIR-UHFFFAOYSA-N 0 0 222.288 3.203 10 0 BGAERN C[C@@H](Nc1ccnc(F)c1)c1ccsc1 ZINC000227643551 371912948 /nfs/dbraw/zinc/91/29/48/371912948.db2.gz OMRJRZFCFAIFDU-MRVPVSSYSA-N 0 0 222.288 3.455 10 0 BGAERN C[C@H](Nc1ccnc(F)c1)c1ccsc1 ZINC000227643555 371912886 /nfs/dbraw/zinc/91/28/86/371912886.db2.gz OMRJRZFCFAIFDU-QMMMGPOBSA-N 0 0 222.288 3.455 10 0 BGAERN CC1(CNc2ccnc(F)c2)CCCC1 ZINC000227644242 371912933 /nfs/dbraw/zinc/91/29/33/371912933.db2.gz ZVFQWHHNEARLEU-UHFFFAOYSA-N 0 0 208.280 3.213 10 0 BGAERN C[C@@H](Nc1ccnc(F)c1)C1CCCC1 ZINC000227644486 371913071 /nfs/dbraw/zinc/91/30/71/371913071.db2.gz RTYDANMFGFVAEY-SECBINFHSA-N 0 0 208.280 3.211 10 0 BGAERN C[C@H](Nc1ccnc(F)c1)C1CCCC1 ZINC000227644491 371913077 /nfs/dbraw/zinc/91/30/77/371913077.db2.gz RTYDANMFGFVAEY-VIFPVBQESA-N 0 0 208.280 3.211 10 0 BGAERN CC1(C)CCC[C@@H]1Nc1ccnc(F)c1 ZINC000227645728 371913119 /nfs/dbraw/zinc/91/31/19/371913119.db2.gz NWTVUWDIJFAGHC-JTQLQIEISA-N 0 0 208.280 3.211 10 0 BGAERN CC1(C)CCC[C@H]1Nc1ccnc(F)c1 ZINC000227645734 371912997 /nfs/dbraw/zinc/91/29/97/371912997.db2.gz NWTVUWDIJFAGHC-SNVBAGLBSA-N 0 0 208.280 3.211 10 0 BGAERN Cc1ccsc1CNc1ccnc(F)c1 ZINC000227645832 371912926 /nfs/dbraw/zinc/91/29/26/371912926.db2.gz YAJGHPMCCHJPPY-UHFFFAOYSA-N 0 0 222.288 3.203 10 0 BGAERN Cc1cscc1CNc1ccnc(F)c1 ZINC000227645843 371913105 /nfs/dbraw/zinc/91/31/05/371913105.db2.gz AECLWAQNTCKXKR-UHFFFAOYSA-N 0 0 222.288 3.203 10 0 BGAERN C[C@@H](CNc1ccnc(F)c1)C(C)(C)C ZINC000227646453 371913084 /nfs/dbraw/zinc/91/30/84/371913084.db2.gz TUIAHVLBTRSMTH-VIFPVBQESA-N 0 0 210.296 3.315 10 0 BGAERN C[C@H](CNc1ccnc(F)c1)C(C)(C)C ZINC000227646460 371912963 /nfs/dbraw/zinc/91/29/63/371912963.db2.gz TUIAHVLBTRSMTH-SECBINFHSA-N 0 0 210.296 3.315 10 0 BGAERN Fc1cc(SCc2ccco2)ccn1 ZINC000227646793 344712702 /nfs/dbraw/zinc/71/27/02/344712702.db2.gz HTBNRJQRSTVKQP-UHFFFAOYSA-N 0 0 209.245 3.106 10 0 BGAERN Fc1cc(Sc2cccs2)ccn1 ZINC000227646829 371914906 /nfs/dbraw/zinc/91/49/06/371914906.db2.gz JXNTYPYHMVCKFN-UHFFFAOYSA-N 0 0 211.286 3.433 10 0 BGAERN Fc1cc(Sc2ccccc2)ccn1 ZINC000227646870 371914474 /nfs/dbraw/zinc/91/44/74/371914474.db2.gz YFUIARFAACMJDD-UHFFFAOYSA-N 0 0 205.257 3.372 10 0 BGAERN Fc1cc(Sc2ccc(Cl)cn2)ccn1 ZINC000227647289 371914610 /nfs/dbraw/zinc/91/46/10/371914610.db2.gz MMSYFNSZQWRPNY-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN Fc1cc(Sc2ncccc2Cl)ccn1 ZINC000227647298 371914027 /nfs/dbraw/zinc/91/40/27/371914027.db2.gz CXJCPVVCUDWFOO-UHFFFAOYSA-N 0 0 240.690 3.420 10 0 BGAERN CN(c1ccnc(Cl)c1)C1CCCC1 ZINC000227685828 345041586 /nfs/dbraw/zinc/04/15/86/345041586.db2.gz HRGPRPHMZMNJJI-UHFFFAOYSA-N 0 0 210.708 3.114 10 0 BGAERN CC[C@@H]1CCCN1c1ccnc(Cl)c1 ZINC000227686129 371922215 /nfs/dbraw/zinc/92/22/15/371922215.db2.gz KKTXZMGDBWFDPN-SECBINFHSA-N 0 0 210.708 3.114 10 0 BGAERN CC[C@H]1CCCN1c1ccnc(Cl)c1 ZINC000227686134 371921890 /nfs/dbraw/zinc/92/18/90/371921890.db2.gz KKTXZMGDBWFDPN-VIFPVBQESA-N 0 0 210.708 3.114 10 0 BGAERN CCC(C)(C)N(C)c1ccnc(Cl)c1 ZINC000227687579 371921983 /nfs/dbraw/zinc/92/19/83/371921983.db2.gz UXYDVIJYXAHEDH-UHFFFAOYSA-N 0 0 212.724 3.360 10 0 BGAERN C/C(=C\c1ccc([C@@H]2C[C@@H]2C)o1)[N+](=O)[O-] ZINC000227691361 371922181 /nfs/dbraw/zinc/92/21/81/371922181.db2.gz YNTDGDBFSLWTDR-FKCYAJEFSA-N 0 0 207.229 3.041 10 0 BGAERN Cc1sc(C(=O)C2CC2)cc1Br ZINC000227709905 371923483 /nfs/dbraw/zinc/92/34/83/371923483.db2.gz WROGTSNHNMYFHA-UHFFFAOYSA-N 0 0 245.141 3.412 10 0 BGAERN C[C@@H]([NH3+])c1cc(Br)c(Cl)s1 ZINC000227728903 345355058 /nfs/dbraw/zinc/35/50/58/345355058.db2.gz OFHXZOZAIGIGPE-GSVOUGTGSA-N 0 0 240.553 3.184 10 0 BGAERN C[C@H]([NH3+])c1cc(Br)c(Cl)s1 ZINC000227728906 345355257 /nfs/dbraw/zinc/35/52/57/345355257.db2.gz OFHXZOZAIGIGPE-VKHMYHEASA-N 0 0 240.553 3.184 10 0 BGAERN CC1=C(Br)CC(=S)S1 ZINC000227744718 371929677 /nfs/dbraw/zinc/92/96/77/371929677.db2.gz OTMYSBNLOOABMN-UHFFFAOYSA-N 0 0 209.133 3.108 10 0 BGAERN S=C1CC(Br)=C(Cl)S1 ZINC000227744725 345269431 /nfs/dbraw/zinc/26/94/31/345269431.db2.gz SOZQJODGZVNPPW-UHFFFAOYSA-N 0 0 229.551 3.453 10 0 BGAERN CC[C@H](O)c1cc(Br)c(C)s1 ZINC000227756567 371930767 /nfs/dbraw/zinc/93/07/67/371930767.db2.gz NOIJEIGLNMUZEZ-ZETCQYMHSA-N 0 0 235.146 3.262 10 0 BGAERN Cc1sc([C@@H](O)C2CC2)cc1Br ZINC000227757086 371931686 /nfs/dbraw/zinc/93/16/86/371931686.db2.gz RQGFYXHPFWWIGC-VIFPVBQESA-N 0 0 247.157 3.262 10 0 BGAERN Cc1sc([C@H](O)C2CC2)cc1Br ZINC000227757090 371931727 /nfs/dbraw/zinc/93/17/27/371931727.db2.gz RQGFYXHPFWWIGC-SECBINFHSA-N 0 0 247.157 3.262 10 0 BGAERN CO[C@@H]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000227760081 385228309 /nfs/dbraw/zinc/22/83/09/385228309.db2.gz IIZQNBIVQQKULO-MWLCHTKSSA-N 0 0 240.734 3.105 10 0 BGAERN CO[C@H]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000227760087 174880889 /nfs/dbraw/zinc/88/08/89/174880889.db2.gz IIZQNBIVQQKULO-KOLCDFICSA-N 0 0 240.734 3.105 10 0 BGAERN CO[C@@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000227760092 385228216 /nfs/dbraw/zinc/22/82/16/385228216.db2.gz IIZQNBIVQQKULO-GXSJLCMTSA-N 0 0 240.734 3.105 10 0 BGAERN CO[C@H]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000227760099 385228661 /nfs/dbraw/zinc/22/86/61/385228661.db2.gz 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/nfs/dbraw/zinc/08/61/64/323086164.db2.gz JLFLDGYMHRKQGN-UHFFFAOYSA-N 0 0 240.306 3.001 10 0 BGAERN CC1(C)COc2ccc(-c3ccc(N)nc3)cc21 ZINC000228530243 323086174 /nfs/dbraw/zinc/08/61/74/323086174.db2.gz SSYDLMSGPFACOH-UHFFFAOYSA-N 0 0 240.306 3.001 10 0 BGAERN CC1(C)COc2ccc(-c3ncccc3N)cc21 ZINC000228530266 323086167 /nfs/dbraw/zinc/08/61/67/323086167.db2.gz YBICFFJMRXVQOS-UHFFFAOYSA-N 0 0 240.306 3.001 10 0 BGAERN CC1(C)COc2ccc(-c3ccc(C=O)o3)cc21 ZINC000228530299 640878706 /nfs/dbraw/zinc/87/87/06/640878706.db2.gz XZZKBOOBKGATIY-UHFFFAOYSA-N 0 0 242.274 3.429 10 0 BGAERN CC[C@@H](C)CSC[C@@H](O)c1ccccc1 ZINC000228556387 640881861 /nfs/dbraw/zinc/88/18/61/640881861.db2.gz ZNXUIOHQKGDTDY-DGCLKSJQSA-N 0 0 224.369 3.499 10 0 BGAERN CC[C@H](C)CSC[C@@H](O)c1ccccc1 ZINC000228556395 640882360 /nfs/dbraw/zinc/88/23/60/640882360.db2.gz ZNXUIOHQKGDTDY-WCQYABFASA-N 0 0 224.369 3.499 10 0 BGAERN CC[C@@H](C)CSC[C@H](O)c1ccccc1 ZINC000228556402 640881716 /nfs/dbraw/zinc/88/17/16/640881716.db2.gz ZNXUIOHQKGDTDY-YPMHNXCESA-N 0 0 224.369 3.499 10 0 BGAERN CC[C@H](C)CSC[C@H](O)c1ccccc1 ZINC000228556408 640881776 /nfs/dbraw/zinc/88/17/76/640881776.db2.gz ZNXUIOHQKGDTDY-AAEUAGOBSA-N 0 0 224.369 3.499 10 0 BGAERN C[C@@H]1CCN(c2csc(C=O)c2)[C@@H](C)C1 ZINC000228566033 361693117 /nfs/dbraw/zinc/69/31/17/361693117.db2.gz PPTRNUZPVAYBQI-ZJUUUORDSA-N 0 0 223.341 3.185 10 0 BGAERN C[C@H]1CCN(c2csc(C=O)c2)[C@@H](C)C1 ZINC000228566039 361693166 /nfs/dbraw/zinc/69/31/66/361693166.db2.gz PPTRNUZPVAYBQI-UWVGGRQHSA-N 0 0 223.341 3.185 10 0 BGAERN O=C(Cc1cccnc1)c1sccc1Cl ZINC000228640573 350888712 /nfs/dbraw/zinc/88/87/12/350888712.db2.gz TVEUSWIYSSQBHQ-UHFFFAOYSA-N 0 0 237.711 3.222 10 0 BGAERN Cc1nc([C@@H](C)NCc2ccncc2C)cs1 ZINC000228661733 487702505 /nfs/dbraw/zinc/70/25/05/487702505.db2.gz RXOBJNPBGSJJLD-SNVBAGLBSA-N 0 0 247.367 3.006 10 0 BGAERN Cc1nc([C@H](C)NCc2ccncc2C)cs1 ZINC000228661742 487702098 /nfs/dbraw/zinc/70/20/98/487702098.db2.gz RXOBJNPBGSJJLD-JTQLQIEISA-N 0 0 247.367 3.006 10 0 BGAERN CC[C@@H]1CCC[C@H]([C@@H](N)C(F)(F)F)C1 ZINC000228673057 398341590 /nfs/dbraw/zinc/34/15/90/398341590.db2.gz LTLBORANHQVBLZ-HRDYMLBCSA-N 0 0 209.255 3.092 10 0 BGAERN CC[C@@H]1CCC[C@@H]([C@@H](N)C(F)(F)F)C1 ZINC000228673081 351022659 /nfs/dbraw/zinc/02/26/59/351022659.db2.gz LTLBORANHQVBLZ-IWSPIJDZSA-N 0 0 209.255 3.092 10 0 BGAERN Cc1cncc(COc2cccc([C@@H](C)O)c2)c1 ZINC000228699465 640890177 /nfs/dbraw/zinc/89/01/77/640890177.db2.gz NYZNIAQZJUVLPM-GFCCVEGCSA-N 0 0 243.306 3.022 10 0 BGAERN Cc1cncc(COc2cccc([C@H](C)O)c2)c1 ZINC000228699472 640890245 /nfs/dbraw/zinc/89/02/45/640890245.db2.gz NYZNIAQZJUVLPM-LBPRGKRZSA-N 0 0 243.306 3.022 10 0 BGAERN Cc1cc(Cl)cc([C@@H](O)CC2CC2)c1 ZINC000228705818 411185103 /nfs/dbraw/zinc/18/51/03/411185103.db2.gz OOGDNYDLCDWTKY-LBPRGKRZSA-N 0 0 210.704 3.482 10 0 BGAERN Cc1cc(Cl)cc([C@H](O)CC2CC2)c1 ZINC000228705825 411185332 /nfs/dbraw/zinc/18/53/32/411185332.db2.gz OOGDNYDLCDWTKY-GFCCVEGCSA-N 0 0 210.704 3.482 10 0 BGAERN Cc1ccc([C@@H](O)CC2CC2)cc1Cl ZINC000228705982 411185633 /nfs/dbraw/zinc/18/56/33/411185633.db2.gz CAWVCZOJMLUYPT-LBPRGKRZSA-N 0 0 210.704 3.482 10 0 BGAERN Cc1ccc([C@H](O)CC2CC2)cc1Cl ZINC000228705991 411185256 /nfs/dbraw/zinc/18/52/56/411185256.db2.gz CAWVCZOJMLUYPT-GFCCVEGCSA-N 0 0 210.704 3.482 10 0 BGAERN O=C(c1ccccc1F)C(F)(F)C(F)(F)F ZINC000228758784 351319600 /nfs/dbraw/zinc/31/96/00/351319600.db2.gz ORUYTEKXCGKDRN-UHFFFAOYSA-N 0 0 242.118 3.206 10 0 BGAERN O=C(C1CCCCC1)C(F)(F)C(F)(F)F ZINC000228758871 358385532 /nfs/dbraw/zinc/38/55/32/358385532.db2.gz QDMWGGGFCLDCDF-UHFFFAOYSA-N 0 0 230.176 3.333 10 0 BGAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1Cl ZINC000228770286 384323283 /nfs/dbraw/zinc/32/32/83/384323283.db2.gz RLCCCQKIKBOSNO-SCZZXKLOSA-N 0 0 210.708 3.336 10 0 BGAERN CCC[C@H]1C[C@@H]1Nc1ncccc1Cl ZINC000228770299 384323374 /nfs/dbraw/zinc/32/33/74/384323374.db2.gz RLCCCQKIKBOSNO-WPRPVWTQSA-N 0 0 210.708 3.336 10 0 BGAERN CCC[C@@H]1C[C@H]1Nc1ncccc1Cl ZINC000228770309 169442946 /nfs/dbraw/zinc/44/29/46/169442946.db2.gz RLCCCQKIKBOSNO-PSASIEDQSA-N 0 0 210.708 3.336 10 0 BGAERN CCC[C@H]1C[C@H]1Nc1ncccc1Cl ZINC000228770322 384324037 /nfs/dbraw/zinc/32/40/37/384324037.db2.gz RLCCCQKIKBOSNO-WCBMZHEXSA-N 0 0 210.708 3.336 10 0 BGAERN CC(C)[C@@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228773327 388773437 /nfs/dbraw/zinc/77/34/37/388773437.db2.gz ITRKFPBRTLOLEQ-RXMQYKEDSA-N 0 0 239.266 3.013 10 0 BGAERN CC(C)[C@H](C)Nc1nc(C(F)(F)F)ns1 ZINC000228773340 388772472 /nfs/dbraw/zinc/77/24/72/388772472.db2.gz ITRKFPBRTLOLEQ-YFKPBYRVSA-N 0 0 239.266 3.013 10 0 BGAERN O[C@H](c1cccc(F)c1Br)C1CC1 ZINC000228789136 372080098 /nfs/dbraw/zinc/08/00/98/372080098.db2.gz HZPGFGRRHJSZKT-JTQLQIEISA-N 0 0 245.091 3.032 10 0 BGAERN O[C@@H](c1cccc(F)c1Br)C1CC1 ZINC000228789146 345397275 /nfs/dbraw/zinc/39/72/75/345397275.db2.gz HZPGFGRRHJSZKT-SNVBAGLBSA-N 0 0 245.091 3.032 10 0 BGAERN COc1ccc(-c2nnc(Cl)s2)c(F)c1 ZINC000228803252 372082388 /nfs/dbraw/zinc/08/23/88/372082388.db2.gz KSZXIKOLGNHZDK-UHFFFAOYSA-N 0 0 244.678 3.006 10 0 BGAERN CCOC(=O)Cc1ccc(C(F)(F)F)cc1C ZINC000228808358 350558803 /nfs/dbraw/zinc/55/88/03/350558803.db2.gz YYJJUVAPFYDMTE-UHFFFAOYSA-N 0 0 246.228 3.119 10 0 BGAERN CC1(Nc2cc(F)c(Cl)cc2N)CC1 ZINC000228829382 372083450 /nfs/dbraw/zinc/08/34/50/372083450.db2.gz KTUJRLJQKOQEMR-UHFFFAOYSA-N 0 0 214.671 3.026 10 0 BGAERN CC1(Nc2c(N)cccc2Cl)CCC1 ZINC000228830606 372083702 /nfs/dbraw/zinc/08/37/02/372083702.db2.gz LIHDKSOQMUJBBI-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN CC1(Nc2ccc(N)cc2Cl)CCC1 ZINC000228830863 372083465 /nfs/dbraw/zinc/08/34/65/372083465.db2.gz KAHOOVOSEFGNKV-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN CC1(Nc2cccc(Cl)c2N)CCC1 ZINC000228831581 351418301 /nfs/dbraw/zinc/41/83/01/351418301.db2.gz BSPSIXBECVJPIA-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN CC(C)(O)Cc1cccc(Cl)c1Cl ZINC000228833797 351418007 /nfs/dbraw/zinc/41/80/07/351418007.db2.gz RQLNZEFRCJIFDJ-UHFFFAOYSA-N 0 0 219.111 3.307 10 0 BGAERN Cc1ccc(-c2ncc[nH]2)c(Br)c1 ZINC000228840662 351420281 /nfs/dbraw/zinc/42/02/81/351420281.db2.gz PIOCBXBZMOVVCE-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN Cc1ccc([C@@H]2CCC(=O)O2)cc1Cl ZINC000228843269 351433988 /nfs/dbraw/zinc/43/39/88/351433988.db2.gz MJIODAVUBGGZPU-JTQLQIEISA-N 0 0 210.660 3.027 10 0 BGAERN Cc1ccc([C@H]2CCC(=O)O2)cc1Cl ZINC000228843279 351433262 /nfs/dbraw/zinc/43/32/62/351433262.db2.gz MJIODAVUBGGZPU-SNVBAGLBSA-N 0 0 210.660 3.027 10 0 BGAERN O[C@@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228858413 351442682 /nfs/dbraw/zinc/44/26/82/351442682.db2.gz PMBBIUMMGFJNBT-ZETCQYMHSA-N 0 0 241.064 3.162 10 0 BGAERN O[C@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228858423 351442879 /nfs/dbraw/zinc/44/28/79/351442879.db2.gz PMBBIUMMGFJNBT-SSDOTTSWSA-N 0 0 241.064 3.162 10 0 BGAERN Cc1ccnc(Cl)c1NC(=O)CC(C)C ZINC000228867549 372084616 /nfs/dbraw/zinc/08/46/16/372084616.db2.gz RJRMVSGEGQTICC-UHFFFAOYSA-N 0 0 226.707 3.028 10 0 BGAERN CC[C@@H](C)Nc1ccc(Br)nc1 ZINC000228876366 351462635 /nfs/dbraw/zinc/46/26/35/351462635.db2.gz ZGZNQGHORSYXJL-SSDOTTSWSA-N 0 0 229.121 3.055 10 0 BGAERN CC[C@H](C)Nc1ccc(Br)nc1 ZINC000228876379 351462469 /nfs/dbraw/zinc/46/24/69/351462469.db2.gz ZGZNQGHORSYXJL-ZETCQYMHSA-N 0 0 229.121 3.055 10 0 BGAERN CC[C@@H](C)Nc1cnc(Br)c(C)c1 ZINC000228876458 351462796 /nfs/dbraw/zinc/46/27/96/351462796.db2.gz ZGQPBBVIOQUFHY-MRVPVSSYSA-N 0 0 243.148 3.363 10 0 BGAERN CC[C@H](C)Nc1cnc(Br)c(C)c1 ZINC000228876469 345412355 /nfs/dbraw/zinc/41/23/55/345412355.db2.gz ZGQPBBVIOQUFHY-QMMMGPOBSA-N 0 0 243.148 3.363 10 0 BGAERN CC1(Nc2ncc(Cl)cc2Cl)CC1 ZINC000228884675 372086053 /nfs/dbraw/zinc/08/60/53/372086053.db2.gz KLPSYPVXERXHPI-UHFFFAOYSA-N 0 0 217.099 3.353 10 0 BGAERN Cc1cc(Br)cnc1NC1(C)CC1 ZINC000228885462 372086947 /nfs/dbraw/zinc/08/69/47/372086947.db2.gz RSCQOCQSBNNQCS-UHFFFAOYSA-N 0 0 241.132 3.117 10 0 BGAERN CC1(Nc2nc3ccccc3s2)CC1 ZINC000228886938 351468201 /nfs/dbraw/zinc/46/82/01/351468201.db2.gz GHQPTUVRRHJRBP-UHFFFAOYSA-N 0 0 204.298 3.261 10 0 BGAERN CC1(Nc2ccc(Br)cn2)CCC1 ZINC000228888037 351468232 /nfs/dbraw/zinc/46/82/32/351468232.db2.gz XAEVPQLHFCNFJF-UHFFFAOYSA-N 0 0 241.132 3.199 10 0 BGAERN CC1(Nc2ccncc2Br)CCC1 ZINC000228888646 351468924 /nfs/dbraw/zinc/46/89/24/351468924.db2.gz QTICQBVFHKXRKJ-UHFFFAOYSA-N 0 0 241.132 3.199 10 0 BGAERN CC1(Nc2nc(Br)cs2)CCC1 ZINC000228889577 345414036 /nfs/dbraw/zinc/41/40/36/345414036.db2.gz LBEDXUXQYYRKAP-UHFFFAOYSA-N 0 0 247.161 3.260 10 0 BGAERN CC(C)=CCNc1ccc(N)cc1Cl ZINC000228900026 351478754 /nfs/dbraw/zinc/47/87/54/351478754.db2.gz KOYGTTGHNNBKAT-UHFFFAOYSA-N 0 0 210.708 3.300 10 0 BGAERN CCOc1cccc(-c2ccc(C=O)o2)c1 ZINC000228903409 640903486 /nfs/dbraw/zinc/90/34/86/640903486.db2.gz YTXRMTSTPATCDU-UHFFFAOYSA-N 0 0 216.236 3.158 10 0 BGAERN CCNc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000228905212 372088203 /nfs/dbraw/zinc/08/82/03/372088203.db2.gz IUHGGGKETPUZNE-UHFFFAOYSA-N 0 0 236.315 3.465 10 0 BGAERN CCCc1c(Cl)ncnc1NC1(C)CC1 ZINC000228910376 351484717 /nfs/dbraw/zinc/48/47/17/351484717.db2.gz AJOWTCSUHCVTCD-UHFFFAOYSA-N 0 0 225.723 3.047 10 0 BGAERN CC(C)c1nc(Cl)cc(NC2(C)CC2)n1 ZINC000228910419 351484381 /nfs/dbraw/zinc/48/43/81/351484381.db2.gz OTVZPYHRGDDCBL-UHFFFAOYSA-N 0 0 225.723 3.218 10 0 BGAERN CSc1nc(Cl)cc(NC2(C)CCC2)n1 ZINC000228910918 397983934 /nfs/dbraw/zinc/98/39/34/397983934.db2.gz SZRAWXPXJOYVTA-UHFFFAOYSA-N 0 0 243.763 3.206 10 0 BGAERN CC1(Nc2cccc(Br)n2)CCC1 ZINC000228911152 345415817 /nfs/dbraw/zinc/41/58/17/345415817.db2.gz NZWWUIYYLUEIQS-UHFFFAOYSA-N 0 0 241.132 3.199 10 0 BGAERN OCC1(Cc2cccc(Cl)c2Cl)CC1 ZINC000228943855 372090744 /nfs/dbraw/zinc/09/07/44/372090744.db2.gz LBHITUUSENTIOE-UHFFFAOYSA-N 0 0 231.122 3.308 10 0 BGAERN CC[C@@H]1C(=O)[C@H](C)[C@H]1c1cccc(F)c1 ZINC000228946907 372090948 /nfs/dbraw/zinc/09/09/48/372090948.db2.gz VDWPJVIRPVAPMS-ZHAHWJHGSA-N 0 0 206.260 3.154 10 0 BGAERN CC[C@@H]1C(=O)[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000228946931 351548907 /nfs/dbraw/zinc/54/89/07/351548907.db2.gz VDWPJVIRPVAPMS-JFUSQASVSA-N 0 0 206.260 3.154 10 0 BGAERN O=C1CSCc2c(Cl)c(Cl)ccc21 ZINC000228958781 372094721 /nfs/dbraw/zinc/09/47/21/372094721.db2.gz IQJLHCVHVGKLEL-UHFFFAOYSA-N 0 0 233.119 3.423 10 0 BGAERN O[C@@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959047 372095017 /nfs/dbraw/zinc/09/50/17/372095017.db2.gz PGKZCHINWDIVJO-MRVPVSSYSA-N 0 0 235.135 3.274 10 0 BGAERN O[C@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959065 345421250 /nfs/dbraw/zinc/42/12/50/345421250.db2.gz PGKZCHINWDIVJO-QMMMGPOBSA-N 0 0 235.135 3.274 10 0 BGAERN N[C@@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228980051 345425433 /nfs/dbraw/zinc/42/54/33/345425433.db2.gz PXTGJMFJGTVEIZ-ZETCQYMHSA-N 0 0 240.080 3.128 10 0 BGAERN N[C@H](Cc1cccc(Cl)c1Cl)C(F)F ZINC000228980060 372098978 /nfs/dbraw/zinc/09/89/78/372098978.db2.gz PXTGJMFJGTVEIZ-SSDOTTSWSA-N 0 0 240.080 3.128 10 0 BGAERN FC(F)(F)c1cn2ccc(Cl)cc2n1 ZINC000228982705 640910063 /nfs/dbraw/zinc/91/00/63/640910063.db2.gz YNGPTOGWBGJMKN-UHFFFAOYSA-N 0 0 220.581 3.007 10 0 BGAERN Cc1noc(-c2cc(Cl)nc3ccccc32)n1 ZINC000229003671 526448780 /nfs/dbraw/zinc/44/87/80/526448780.db2.gz XYMLMYIZCLWCAS-UHFFFAOYSA-N 0 0 245.669 3.247 10 0 BGAERN Cc1cc(NC(=O)c2ccc[nH]2)ccc1Cl ZINC000229010951 525251114 /nfs/dbraw/zinc/25/11/14/525251114.db2.gz UAJNGKKFSNSNDT-UHFFFAOYSA-N 0 0 234.686 3.229 10 0 BGAERN CC(=O)c1ccc(Oc2nccnc2Cl)cc1 ZINC000229018328 518400790 /nfs/dbraw/zinc/40/07/90/518400790.db2.gz ZLJKIVPDKUDTQY-UHFFFAOYSA-N 0 0 248.669 3.125 10 0 BGAERN CC(=O)c1cccc(Oc2nccnc2Cl)c1 ZINC000229018424 518459019 /nfs/dbraw/zinc/45/90/19/518459019.db2.gz MIVMQQCBJWNGFI-UHFFFAOYSA-N 0 0 248.669 3.125 10 0 BGAERN C/C=C/CCNc1c(F)c(F)nc(F)c1F ZINC000229053017 388780066 /nfs/dbraw/zinc/78/00/66/388780066.db2.gz QPXHRKAEIZMYHK-NSCUHMNNSA-N 0 0 234.196 3.016 10 0 BGAERN CCC[C@@H]1C[C@@H]1Nc1nc(CC)cs1 ZINC000229056101 323027038 /nfs/dbraw/zinc/02/70/38/323027038.db2.gz FFECSNYPENYWGK-SCZZXKLOSA-N 0 0 210.346 3.306 10 0 BGAERN CCC[C@H]1C[C@@H]1Nc1nc(CC)cs1 ZINC000229056112 388779519 /nfs/dbraw/zinc/77/95/19/388779519.db2.gz 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IXVUGQSSBMFOAP-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc(F)c2nc(Br)ccc2c1 ZINC000230091432 371844074 /nfs/dbraw/zinc/84/40/74/371844074.db2.gz BXIWYKHUHOPCCY-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Fc1ccc2ccc(Br)nc2c1F ZINC000230091698 371844340 /nfs/dbraw/zinc/84/43/40/371844340.db2.gz AZQNFAOGWKTYKD-UHFFFAOYSA-N 0 0 244.038 3.276 10 0 BGAERN Cc1c(F)ccc2ccc(Br)nc12 ZINC000230091728 371844304 /nfs/dbraw/zinc/84/43/04/371844304.db2.gz DBJVTISHAUMYCL-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Fc1cc(F)c2ccc(Br)nc2c1 ZINC000230092137 371844551 /nfs/dbraw/zinc/84/45/51/371844551.db2.gz IXGMDVUORGFOAT-UHFFFAOYSA-N 0 0 244.038 3.276 10 0 BGAERN Cc1ccc(F)c2nc(Br)ccc12 ZINC000230092448 371845788 /nfs/dbraw/zinc/84/57/88/371845788.db2.gz NVMKNLZQQZBBCO-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc(F)cc2ccc(Br)nc12 ZINC000230092508 371845620 /nfs/dbraw/zinc/84/56/20/371845620.db2.gz AQELNKLKKBBKJX-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc(F)cc2nc(Br)ccc12 ZINC000230092742 371846321 /nfs/dbraw/zinc/84/63/21/371846321.db2.gz CWCNDUMPYSLZFV-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Cc1cc2ccc(Br)nc2cc1F ZINC000230092800 371844737 /nfs/dbraw/zinc/84/47/37/371844737.db2.gz REKKEXFSNHCMQX-UHFFFAOYSA-N 0 0 240.075 3.445 10 0 BGAERN Brc1nsc(CC2CCCC2)n1 ZINC000230108362 371850769 /nfs/dbraw/zinc/85/07/69/371850769.db2.gz HYZKPIIIJWUBRD-UHFFFAOYSA-N 0 0 247.161 3.033 10 0 BGAERN CC1(c2nc(Br)ns2)CCCC1 ZINC000230108436 353467346 /nfs/dbraw/zinc/46/73/46/353467346.db2.gz NDLJQUSDCRJIMH-UHFFFAOYSA-N 0 0 247.161 3.132 10 0 BGAERN Brc1nsc(C2CCCCC2)n1 ZINC000230108585 344128560 /nfs/dbraw/zinc/12/85/60/344128560.db2.gz MLDQRMNIQLLFCZ-UHFFFAOYSA-N 0 0 247.161 3.348 10 0 BGAERN CCC(CC)c1nc(Br)ns1 ZINC000230109141 344128973 /nfs/dbraw/zinc/12/89/73/344128973.db2.gz KOAQRGWQDQJXEJ-UHFFFAOYSA-N 0 0 235.150 3.204 10 0 BGAERN Brc1nsc(-c2cccs2)n1 ZINC000230109162 344129221 /nfs/dbraw/zinc/12/92/21/344129221.db2.gz FQUYVNLTEUBVMW-UHFFFAOYSA-N 0 0 247.142 3.029 10 0 BGAERN CC(C)[C@@H](C)c1nc(Br)ns1 ZINC000230109213 371850582 /nfs/dbraw/zinc/85/05/82/371850582.db2.gz GVFKSCMNYRNOTJ-RXMQYKEDSA-N 0 0 235.150 3.060 10 0 BGAERN CC(C)[C@H](C)c1nc(Br)ns1 ZINC000230109216 371851124 /nfs/dbraw/zinc/85/11/24/371851124.db2.gz GVFKSCMNYRNOTJ-YFKPBYRVSA-N 0 0 235.150 3.060 10 0 BGAERN Brc1nsc(-c2ccsc2)n1 ZINC000230109393 371851525 /nfs/dbraw/zinc/85/15/25/371851525.db2.gz DGGDEVAIRAUWHV-UHFFFAOYSA-N 0 0 247.142 3.029 10 0 BGAERN CCC[C@@H](C)c1nc(Br)ns1 ZINC000230109774 371850759 /nfs/dbraw/zinc/85/07/59/371850759.db2.gz DTEXBGNTMZKOGN-RXMQYKEDSA-N 0 0 235.150 3.204 10 0 BGAERN CCC[C@H](C)c1nc(Br)ns1 ZINC000230109780 371844325 /nfs/dbraw/zinc/84/43/25/371844325.db2.gz DTEXBGNTMZKOGN-YFKPBYRVSA-N 0 0 235.150 3.204 10 0 BGAERN Clc1nsc(Cc2ccccc2Cl)n1 ZINC000230112519 371852165 /nfs/dbraw/zinc/85/21/65/371852165.db2.gz XCLHWCLMTSLCBQ-UHFFFAOYSA-N 0 0 245.134 3.436 10 0 BGAERN Clc1nsc(CC2CCCCC2)n1 ZINC000230112538 371852379 /nfs/dbraw/zinc/85/23/79/371852379.db2.gz KLVFIMVSCIETJU-UHFFFAOYSA-N 0 0 216.737 3.314 10 0 BGAERN CC1(C)C(c2nc(Cl)ns2)C1(C)C ZINC000230112606 371852372 /nfs/dbraw/zinc/85/23/72/371852372.db2.gz CGWSKUOFNMLCQL-UHFFFAOYSA-N 0 0 216.737 3.341 10 0 BGAERN Clc1nsc(Cc2ccc(Cl)cc2)n1 ZINC000230112757 371852697 /nfs/dbraw/zinc/85/26/97/371852697.db2.gz BXBZJWKYKKUQKA-UHFFFAOYSA-N 0 0 245.134 3.436 10 0 BGAERN CC1(c2nc(Cl)ns2)CCCC1 ZINC000230112800 353467505 /nfs/dbraw/zinc/46/75/05/353467505.db2.gz JPHRQGODRXGKSY-UHFFFAOYSA-N 0 0 202.710 3.023 10 0 BGAERN Fc1cccc(Cc2nc(Cl)ns2)c1F ZINC000230112803 371852462 /nfs/dbraw/zinc/85/24/62/371852462.db2.gz ANTKMJYCMNQSBO-UHFFFAOYSA-N 0 0 246.669 3.061 10 0 BGAERN Fc1cccc(F)c1Cc1nc(Cl)ns1 ZINC000230112811 371853817 /nfs/dbraw/zinc/85/38/17/371853817.db2.gz DOFWLZNQOBONMM-UHFFFAOYSA-N 0 0 246.669 3.061 10 0 BGAERN Fc1ccc(Cc2nc(Cl)ns2)c(F)c1 ZINC000230112821 371854060 /nfs/dbraw/zinc/85/40/60/371854060.db2.gz ZGXASWJNPIFEER-UHFFFAOYSA-N 0 0 246.669 3.061 10 0 BGAERN Cc1cccc(-c2nc(Cl)ns2)c1C ZINC000230112906 371854069 /nfs/dbraw/zinc/85/40/69/371854069.db2.gz BVTBATLLXPHXFI-UHFFFAOYSA-N 0 0 224.716 3.475 10 0 BGAERN Fc1cccc(-c2nc(Cl)ns2)c1F ZINC000230112997 371854101 /nfs/dbraw/zinc/85/41/01/371854101.db2.gz YNUYKLQDYNEALL-UHFFFAOYSA-N 0 0 232.642 3.137 10 0 BGAERN Cc1ccc(Cc2nc(Cl)ns2)cc1C ZINC000230113003 371854063 /nfs/dbraw/zinc/85/40/63/371854063.db2.gz AUNIOHJPJPEHKD-UHFFFAOYSA-N 0 0 238.743 3.399 10 0 BGAERN CCc1ccc(-c2nc(Cl)ns2)o1 ZINC000230113046 371853892 /nfs/dbraw/zinc/85/38/92/371853892.db2.gz FXSDCCCIMOCRBW-UHFFFAOYSA-N 0 0 214.677 3.014 10 0 BGAERN CCc1ccsc1-c1nc(Cl)ns1 ZINC000230113055 371853999 /nfs/dbraw/zinc/85/39/99/371853999.db2.gz YNIGCKHGXLJDQN-UHFFFAOYSA-N 0 0 230.745 3.482 10 0 BGAERN CC1CCC(c2nc(Cl)ns2)CC1 ZINC000230113091 353467199 /nfs/dbraw/zinc/46/71/99/353467199.db2.gz LGJLBJKDQNIEHR-UHFFFAOYSA-N 0 0 216.737 3.485 10 0 BGAERN Cc1cc(F)cc(-c2nc(Cl)ns2)c1 ZINC000230113129 353467530 /nfs/dbraw/zinc/46/75/30/353467530.db2.gz OXFXSGBQINNVGW-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN Cc1cc(C)cc(-c2nc(Cl)ns2)c1 ZINC000230113157 371852195 /nfs/dbraw/zinc/85/21/95/371852195.db2.gz NEXRJQKFLDWBAP-UHFFFAOYSA-N 0 0 224.716 3.475 10 0 BGAERN Fc1ccc(-c2nc(Cl)ns2)c(F)c1 ZINC000230113160 371852435 /nfs/dbraw/zinc/85/24/35/371852435.db2.gz HXGISVLMAIFGJV-UHFFFAOYSA-N 0 0 232.642 3.137 10 0 BGAERN Cc1ccsc1-c1nc(Cl)ns1 ZINC000230113184 371854124 /nfs/dbraw/zinc/85/41/24/371854124.db2.gz XLXVZZVNRDQUPO-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN Cc1cc(-c2nc(Cl)ns2)ccc1F ZINC000230113284 371853799 /nfs/dbraw/zinc/85/37/99/371853799.db2.gz LBOPMEAMZKPTGR-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN Cc1ccccc1CCc1nc(Cl)ns1 ZINC000230113443 371852444 /nfs/dbraw/zinc/85/24/44/371852444.db2.gz BCBAVZQAVKGBQW-UHFFFAOYSA-N 0 0 238.743 3.285 10 0 BGAERN Clc1nsc(C2(c3ccccc3)CC2)n1 ZINC000230113457 371852118 /nfs/dbraw/zinc/85/21/18/371852118.db2.gz UZDSPCCQTPMJJJ-UHFFFAOYSA-N 0 0 236.727 3.271 10 0 BGAERN CCC1(c2nc(Cl)ns2)CCCC1 ZINC000230113511 371852447 /nfs/dbraw/zinc/85/24/47/371852447.db2.gz UTMHQBJFVCQGKL-UHFFFAOYSA-N 0 0 216.737 3.413 10 0 BGAERN Cc1ccc(-c2nc(Cl)ns2)c(F)c1 ZINC000230113518 344169784 /nfs/dbraw/zinc/16/97/84/344169784.db2.gz SEEYISHRIMDLCR-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN Cc1cc(-c2nc(Cl)ns2)c(C)o1 ZINC000230113590 344169852 /nfs/dbraw/zinc/16/98/52/344169852.db2.gz VOCKKPATZXQYTE-UHFFFAOYSA-N 0 0 214.677 3.068 10 0 BGAERN COc1cc(-c2nc(Cl)ns2)ccc1C ZINC000230113601 344169564 /nfs/dbraw/zinc/16/95/64/344169564.db2.gz SMJQYCHKJTUUMN-UHFFFAOYSA-N 0 0 240.715 3.176 10 0 BGAERN Cc1ccc(-c2nc(Cl)ns2)s1 ZINC000230113853 350595331 /nfs/dbraw/zinc/59/53/31/350595331.db2.gz RRWYNTWUOGHUHQ-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN Cc1ccc(-c2nc(Cl)ns2)c(C)c1 ZINC000230113908 371854004 /nfs/dbraw/zinc/85/40/04/371854004.db2.gz WHZCOJLQFLHBJS-UHFFFAOYSA-N 0 0 224.716 3.475 10 0 BGAERN Clc1nsc(CCC2CCCC2)n1 ZINC000230113927 371853792 /nfs/dbraw/zinc/85/37/92/371853792.db2.gz HPWVHBZOUIRWEG-UHFFFAOYSA-N 0 0 216.737 3.314 10 0 BGAERN Cc1ccc(F)cc1-c1nc(Cl)ns1 ZINC000230114006 371854034 /nfs/dbraw/zinc/85/40/34/371854034.db2.gz MXNDDLJVGACXAY-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN CCc1ccc(-c2nc(Cl)ns2)s1 ZINC000230114010 371853811 /nfs/dbraw/zinc/85/38/11/371853811.db2.gz WWRNFQMMRVERQN-UHFFFAOYSA-N 0 0 230.745 3.482 10 0 BGAERN Cc1cscc1-c1nc(Cl)ns1 ZINC000230114034 371853959 /nfs/dbraw/zinc/85/39/59/371853959.db2.gz RDWFWDVBLHVVIY-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN Fc1cc(F)cc(-c2nc(Cl)ns2)c1 ZINC000230114106 371853917 /nfs/dbraw/zinc/85/39/17/371853917.db2.gz VUXUNSJQBKXYBJ-UHFFFAOYSA-N 0 0 232.642 3.137 10 0 BGAERN Cc1ccc(C)c(-c2nc(Cl)ns2)c1 ZINC000230114114 371854067 /nfs/dbraw/zinc/85/40/67/371854067.db2.gz CYYFJPLMXAYUJW-UHFFFAOYSA-N 0 0 224.716 3.475 10 0 BGAERN Cc1ccc(-c2nc(Cl)ns2)cc1 ZINC000230114141 353467110 /nfs/dbraw/zinc/46/71/10/353467110.db2.gz MRNNQBTVUYEWGE-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN Cc1cccc(-c2nc(Cl)ns2)c1 ZINC000230114161 371854126 /nfs/dbraw/zinc/85/41/26/371854126.db2.gz YFZIYGPBJKCJEO-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN Cc1ccc(CCc2nc(Cl)ns2)cc1 ZINC000230114218 371853805 /nfs/dbraw/zinc/85/38/05/371853805.db2.gz SFRQJFIAZFEDAX-UHFFFAOYSA-N 0 0 238.743 3.285 10 0 BGAERN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C)c(O)c1 ZINC000230145467 387234249 /nfs/dbraw/zinc/23/42/49/387234249.db2.gz GSZKPDNKSPNSRA-WDEREUQCSA-N 0 0 233.311 3.075 10 0 BGAERN Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C)c(O)c1 ZINC000230145471 387233783 /nfs/dbraw/zinc/23/37/83/387233783.db2.gz GSZKPDNKSPNSRA-QWRGUYRKSA-N 0 0 233.311 3.075 10 0 BGAERN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C)c(O)c1 ZINC000230145476 387233381 /nfs/dbraw/zinc/23/33/81/387233381.db2.gz GSZKPDNKSPNSRA-GHMZBOCLSA-N 0 0 233.311 3.075 10 0 BGAERN Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C)c(O)c1 ZINC000230145482 387233290 /nfs/dbraw/zinc/23/32/90/387233290.db2.gz GSZKPDNKSPNSRA-MNOVXSKESA-N 0 0 233.311 3.075 10 0 BGAERN CCS[C@@H]1CC[C@@H](Nc2cc(C)ccn2)C1 ZINC000230148623 136227929 /nfs/dbraw/zinc/22/79/29/136227929.db2.gz LYFWWAUPORRSMK-VXGBXAGGSA-N 0 0 236.384 3.476 10 0 BGAERN CCS[C@H]1CC[C@@H](Nc2cc(C)ccn2)C1 ZINC000230148627 136228048 /nfs/dbraw/zinc/22/80/48/136228048.db2.gz LYFWWAUPORRSMK-NEPJUHHUSA-N 0 0 236.384 3.476 10 0 BGAERN CCS[C@@H]1CC[C@H](Nc2cc(C)ccn2)C1 ZINC000230148634 136227804 /nfs/dbraw/zinc/22/78/04/136227804.db2.gz LYFWWAUPORRSMK-NWDGAFQWSA-N 0 0 236.384 3.476 10 0 BGAERN CCS[C@H]1CC[C@H](Nc2cc(C)ccn2)C1 ZINC000230148640 136228062 /nfs/dbraw/zinc/22/80/62/136228062.db2.gz LYFWWAUPORRSMK-RYUDHWBXSA-N 0 0 236.384 3.476 10 0 BGAERN CCC1(CNc2ccnc(Cl)n2)CCC1 ZINC000230149008 371861419 /nfs/dbraw/zinc/86/14/19/371861419.db2.gz XKXUEHONEOFXKI-UHFFFAOYSA-N 0 0 225.723 3.122 10 0 BGAERN Cc1cc(C2=C[C@@H](O)CCCC2)cs1 ZINC000230170730 371864569 /nfs/dbraw/zinc/86/45/69/371864569.db2.gz BPNDXYFUAKJFBT-LBPRGKRZSA-N 0 0 208.326 3.375 10 0 BGAERN Cc1cc(C2=C[C@H](O)CCCC2)cs1 ZINC000230170733 371864506 /nfs/dbraw/zinc/86/45/06/371864506.db2.gz 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/nfs/dbraw/zinc/69/17/06/353691706.db2.gz ZAJZIIWJMKIFQS-UHFFFAOYSA-N 0 0 232.096 3.139 10 0 BGAERN Cc1cc(Br)cc(N2CC(C)C2)c1 ZINC000232071240 351655456 /nfs/dbraw/zinc/65/54/56/351655456.db2.gz GPLVSRWSEZBXQX-UHFFFAOYSA-N 0 0 240.144 3.214 10 0 BGAERN Cc1cc(Br)cc(N2CC[C@@H]2C)c1 ZINC000232071283 351655894 /nfs/dbraw/zinc/65/58/94/351655894.db2.gz SIGZINICMYXHOG-VIFPVBQESA-N 0 0 240.144 3.356 10 0 BGAERN Cc1cc(Br)cc(N2CC[C@H]2C)c1 ZINC000232071285 351656163 /nfs/dbraw/zinc/65/61/63/351656163.db2.gz SIGZINICMYXHOG-SECBINFHSA-N 0 0 240.144 3.356 10 0 BGAERN Cc1cc(F)c(Br)cc1NC1CC1 ZINC000232098871 351756078 /nfs/dbraw/zinc/75/60/78/351756078.db2.gz YOBSYSNUSFTCTJ-UHFFFAOYSA-N 0 0 244.107 3.471 10 0 BGAERN Cc1cc(F)c(Br)c2c1NCCC2 ZINC000232099896 351755597 /nfs/dbraw/zinc/75/55/97/351755597.db2.gz RXCVCEQWRVVGMF-UHFFFAOYSA-N 0 0 244.107 3.255 10 0 BGAERN CCCNc1c(F)cccc1Br ZINC000232120175 351817882 /nfs/dbraw/zinc/81/78/82/351817882.db2.gz MKCHERDUOKPCBI-UHFFFAOYSA-N 0 0 232.096 3.410 10 0 BGAERN Fc1cccc(Br)c1NC1CC1 ZINC000232121821 351833729 /nfs/dbraw/zinc/83/37/29/351833729.db2.gz MDXVTBRWDLIMPD-UHFFFAOYSA-N 0 0 230.080 3.163 10 0 BGAERN Cc1ccc(-c2cccc(F)c2N)s1 ZINC000232138142 351853316 /nfs/dbraw/zinc/85/33/16/351853316.db2.gz IGAMBYIVWNKRIF-UHFFFAOYSA-N 0 0 207.273 3.445 10 0 BGAERN Cc1sccc1-c1cccc(F)c1N ZINC000232138362 351853438 /nfs/dbraw/zinc/85/34/38/351853438.db2.gz IHEXGCPSOKIRAZ-UHFFFAOYSA-N 0 0 207.273 3.445 10 0 BGAERN Fc1cc(NC2CC2)c(F)cc1Br ZINC000232160697 351999380 /nfs/dbraw/zinc/99/93/80/351999380.db2.gz RBYWEVBWAXAVNB-UHFFFAOYSA-N 0 0 248.070 3.302 10 0 BGAERN Fc1cc(Br)c(F)c2c1NCCC2 ZINC000232165139 352001813 /nfs/dbraw/zinc/00/18/13/352001813.db2.gz UYFGUALSYMBRLV-UHFFFAOYSA-N 0 0 248.070 3.085 10 0 BGAERN CN(C)c1ccc(Br)c(Cl)c1 ZINC000232172778 352028906 /nfs/dbraw/zinc/02/89/06/352028906.db2.gz DQXOHHDBIMCNEX-UHFFFAOYSA-N 0 0 234.524 3.169 10 0 BGAERN CC(C)Cc1cc(F)cc(Cl)c1N ZINC000232181817 372113115 /nfs/dbraw/zinc/11/31/15/372113115.db2.gz PCSZLQYUXOYWKQ-UHFFFAOYSA-N 0 0 201.672 3.260 10 0 BGAERN Nc1c(Cl)cc(F)cc1-c1ccc[nH]1 ZINC000232182658 352082432 /nfs/dbraw/zinc/08/24/32/352082432.db2.gz HWTXVEGUACLLLX-UHFFFAOYSA-N 0 0 210.639 3.056 10 0 BGAERN CCCCc1cc(F)cc(Cl)c1N ZINC000232182691 352082186 /nfs/dbraw/zinc/08/21/86/352082186.db2.gz AIDBZJQZOSJGDL-UHFFFAOYSA-N 0 0 201.672 3.404 10 0 BGAERN CC(C)c1nn(C)cc1-c1ccc(N)cc1Cl ZINC000232183062 641254091 /nfs/dbraw/zinc/25/40/91/641254091.db2.gz OIOBUCHDPDYGNP-UHFFFAOYSA-N 0 0 249.745 3.446 10 0 BGAERN O[C@@H](CC1CCC1)c1occc1Br ZINC000232185779 352081992 /nfs/dbraw/zinc/08/19/92/352081992.db2.gz OMDWRVHFMIQVAX-VIFPVBQESA-N 0 0 245.116 3.266 10 0 BGAERN O[C@H](CC1CCC1)c1occc1Br ZINC000232185781 352082390 /nfs/dbraw/zinc/08/23/90/352082390.db2.gz OMDWRVHFMIQVAX-SECBINFHSA-N 0 0 245.116 3.266 10 0 BGAERN COC(=O)c1scc(C)c1-c1ccco1 ZINC000232196156 352109843 /nfs/dbraw/zinc/10/98/43/352109843.db2.gz JZNURMHJIBIFKX-UHFFFAOYSA-N 0 0 222.265 3.103 10 0 BGAERN COc1cc2c(cc1Cl)C(C)(C)CN2 ZINC000232200201 641252688 /nfs/dbraw/zinc/25/26/88/641252688.db2.gz DATBOIZLARZCDK-UHFFFAOYSA-N 0 0 211.692 3.052 10 0 BGAERN COc1cc2ncc(N)c(Cl)c2cc1Cl ZINC000232204421 352335584 /nfs/dbraw/zinc/33/55/84/352335584.db2.gz DZBHLFPRIYRMPF-UHFFFAOYSA-N 0 0 243.093 3.132 10 0 BGAERN Cc1cc(-c2ccc(F)cc2N)cs1 ZINC000232215802 352459217 /nfs/dbraw/zinc/45/92/17/352459217.db2.gz ZZFCRIRZZLJHGY-UHFFFAOYSA-N 0 0 207.273 3.445 10 0 BGAERN CCCOc1cncc(-c2cccc(N)c2C)c1 ZINC000232216523 487523767 /nfs/dbraw/zinc/52/37/67/487523767.db2.gz OGJKNVWIXQARAC-UHFFFAOYSA-N 0 0 242.322 3.428 10 0 BGAERN Cc1c(N)cccc1-c1cncc(OC(C)C)c1 ZINC000232216538 641256049 /nfs/dbraw/zinc/25/60/49/641256049.db2.gz VSCUDXCRDVIXOO-UHFFFAOYSA-N 0 0 242.322 3.426 10 0 BGAERN COCCc1ccc(-c2cccc(N)c2C)cc1 ZINC000232217214 487523701 /nfs/dbraw/zinc/52/37/01/487523701.db2.gz XAVHOOXJUNDWIL-UHFFFAOYSA-N 0 0 241.334 3.433 10 0 BGAERN CCCn1nc(C)c(-c2cccc(N)c2C)c1C ZINC000232217412 487523793 /nfs/dbraw/zinc/52/37/93/487523793.db2.gz AZUFGVSKXHSNTP-UHFFFAOYSA-N 0 0 243.354 3.468 10 0 BGAERN Cc1c(N)cccc1-c1cn(C)nc1C(C)C ZINC000232217516 641256728 /nfs/dbraw/zinc/25/67/28/641256728.db2.gz WGJNEOJVCQWKMO-UHFFFAOYSA-N 0 0 229.327 3.101 10 0 BGAERN Cc1c2c(ccc1Br)C(C)(C)CN2 ZINC000232219025 353701343 /nfs/dbraw/zinc/70/13/43/353701343.db2.gz RIGINCSQWHIRSC-UHFFFAOYSA-N 0 0 240.144 3.461 10 0 BGAERN CC1(C)CNc2c1c(F)ccc2Br ZINC000232219034 372116869 /nfs/dbraw/zinc/11/68/69/372116869.db2.gz HXKKCRBBXKKJPQ-UHFFFAOYSA-N 0 0 244.107 3.291 10 0 BGAERN CNc1ccnc2c(Cl)ccc(C)c12 ZINC000232221520 352481743 /nfs/dbraw/zinc/48/17/43/352481743.db2.gz ZEIVVYCBESWPKP-UHFFFAOYSA-N 0 0 206.676 3.238 10 0 BGAERN Cc1c(Br)ccc2cc(O)cnc12 ZINC000232223969 372117043 /nfs/dbraw/zinc/11/70/43/372117043.db2.gz KKFFIKAKJCABBY-UHFFFAOYSA-N 0 0 238.084 3.011 10 0 BGAERN Fc1ccc(Br)c(-n2cccc2)c1 ZINC000232224394 353702881 /nfs/dbraw/zinc/70/28/81/353702881.db2.gz JFSSOGARGMSGGU-UHFFFAOYSA-N 0 0 240.075 3.379 10 0 BGAERN Cc1ccc(Cl)c(NC2CCC(O)CC2)c1 ZINC000232230332 262917893 /nfs/dbraw/zinc/91/78/93/262917893.db2.gz CFTVOXJZAODVGM-UHFFFAOYSA-N 0 0 239.746 3.364 10 0 BGAERN Cc1c(Br)cccc1NCCF ZINC000232241713 350656653 /nfs/dbraw/zinc/65/66/53/350656653.db2.gz XLMGTKYQQNVYPI-UHFFFAOYSA-N 0 0 232.096 3.139 10 0 BGAERN Cc1ccc(Cl)c(NCC(F)F)c1 ZINC000232242544 352576948 /nfs/dbraw/zinc/57/69/48/352576948.db2.gz IRXRQGZPZQWAIL-UHFFFAOYSA-N 0 0 205.635 3.325 10 0 BGAERN Cc1c(Br)cccc1N1CCCC1 ZINC000232262692 386648259 /nfs/dbraw/zinc/64/82/59/386648259.db2.gz IPZJUIXNGNRPAG-UHFFFAOYSA-N 0 0 240.144 3.358 10 0 BGAERN C[C@@H]1CCN1c1cc(F)ccc1Br ZINC000232262900 386648718 /nfs/dbraw/zinc/64/87/18/386648718.db2.gz VEXWYYPNEZEGLK-SSDOTTSWSA-N 0 0 244.107 3.187 10 0 BGAERN C[C@H]1CCN1c1cc(F)ccc1Br ZINC000232262902 386649174 /nfs/dbraw/zinc/64/91/74/386649174.db2.gz VEXWYYPNEZEGLK-ZETCQYMHSA-N 0 0 244.107 3.187 10 0 BGAERN Cc1nnc(N[C@@H](C)c2cccc(C)c2)s1 ZINC000232287250 357651498 /nfs/dbraw/zinc/65/14/98/357651498.db2.gz OSPCGEPROHZHRN-VIFPVBQESA-N 0 0 233.340 3.328 10 0 BGAERN Cc1nnc(N[C@H](C)c2cccc(C)c2)s1 ZINC000232287251 357651433 /nfs/dbraw/zinc/65/14/33/357651433.db2.gz OSPCGEPROHZHRN-SECBINFHSA-N 0 0 233.340 3.328 10 0 BGAERN CCOc1ccccc1[C@@H](C)Nc1nncs1 ZINC000232287669 170598378 /nfs/dbraw/zinc/59/83/78/170598378.db2.gz HSFNXZNFNGDQPM-SECBINFHSA-N 0 0 249.339 3.110 10 0 BGAERN Cc1ccc([C@@H](C)Nc2nncs2)cc1C ZINC000232288789 178852299 /nfs/dbraw/zinc/85/22/99/178852299.db2.gz NBCQTXBKUFCSRC-SNVBAGLBSA-N 0 0 233.340 3.328 10 0 BGAERN C[C@@H](Nc1cnns1)c1ccc(Cl)s1 ZINC000232290171 352599001 /nfs/dbraw/zinc/59/90/01/352599001.db2.gz LRFGAZRZSFQGGB-RXMQYKEDSA-N 0 0 245.760 3.426 10 0 BGAERN C[C@H](Nc1cnns1)c1ccc(Cl)s1 ZINC000232290173 352599374 /nfs/dbraw/zinc/59/93/74/352599374.db2.gz LRFGAZRZSFQGGB-YFKPBYRVSA-N 0 0 245.760 3.426 10 0 BGAERN CC[C@H](C)c1ccc(O[C@@H](C)[C@H](C)O)cc1 ZINC000232352323 259331288 /nfs/dbraw/zinc/33/12/88/259331288.db2.gz OXDRRVZCDSIWHE-SRVKXCTJSA-N 0 0 222.328 3.348 10 0 BGAERN CC[C@H](C)c1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000232352326 259331306 /nfs/dbraw/zinc/33/13/06/259331306.db2.gz OXDRRVZCDSIWHE-SDDRHHMPSA-N 0 0 222.328 3.348 10 0 BGAERN Oc1ccc(NC2CCCC2)cc1Cl ZINC000232392019 352649249 /nfs/dbraw/zinc/64/92/49/352649249.db2.gz FSAUTVNMZYLGPW-UHFFFAOYSA-N 0 0 211.692 3.400 10 0 BGAERN COC(=O)C=CNc1cccc(Cl)c1Cl ZINC000232443929 352668981 /nfs/dbraw/zinc/66/89/81/352668981.db2.gz XENRVEFGCCRRLC-AATRIKPKSA-N 0 0 246.093 3.092 10 0 BGAERN c1c(C2CCCCCC2)nn2c1NCCC2 ZINC000232452785 585031142 /nfs/dbraw/zinc/03/11/42/585031142.db2.gz DVDZEALIYMEYEF-UHFFFAOYSA-N 0 0 219.332 3.137 10 0 BGAERN CC(=O)C1(Cc2ccc(F)cc2C)CC1 ZINC000232454024 352679991 /nfs/dbraw/zinc/67/99/91/352679991.db2.gz WFOPBTWOARCTRD-UHFFFAOYSA-N 0 0 206.260 3.046 10 0 BGAERN O=Cc1ccc(-c2occc2Br)o1 ZINC000232457465 398181008 /nfs/dbraw/zinc/18/10/08/398181008.db2.gz OVOSTJRFSAHYPI-UHFFFAOYSA-N 0 0 241.040 3.115 10 0 BGAERN O=Cc1occc1-c1occc1Br ZINC000232457495 398181209 /nfs/dbraw/zinc/18/12/09/398181209.db2.gz PRWCWQFSOGXPBX-UHFFFAOYSA-N 0 0 241.040 3.115 10 0 BGAERN O=C(c1ccoc1Br)C1CCC1 ZINC000232464033 352716239 /nfs/dbraw/zinc/71/62/39/352716239.db2.gz JHKAGURYDNXKBG-UHFFFAOYSA-N 0 0 229.073 3.025 10 0 BGAERN O=C(c1ccoc1Br)C1CCCC1 ZINC000232464050 352716349 /nfs/dbraw/zinc/71/63/49/352716349.db2.gz YRDSLDMGZUYIDA-UHFFFAOYSA-N 0 0 243.100 3.415 10 0 BGAERN Brc1cccc2c1NC[C@@H]2C1CC1 ZINC000232464709 352717013 /nfs/dbraw/zinc/71/70/13/352717013.db2.gz QNRVNYZGVXOZLT-SECBINFHSA-N 0 0 238.128 3.368 10 0 BGAERN Brc1cccc2c1NC[C@H]2C1CC1 ZINC000232466848 352720401 /nfs/dbraw/zinc/72/04/01/352720401.db2.gz QNRVNYZGVXOZLT-VIFPVBQESA-N 0 0 238.128 3.368 10 0 BGAERN c1ccc2c(c1)NCC[C@@H]2C1CCOCC1 ZINC000232469638 342835287 /nfs/dbraw/zinc/83/52/87/342835287.db2.gz MGPMFGBHRTTYPA-GFCCVEGCSA-N 0 0 217.312 3.012 10 0 BGAERN Brc1ccc2c(c1)[C@H](C1CC1)CN2 ZINC000232471490 386646161 /nfs/dbraw/zinc/64/61/61/386646161.db2.gz UWVOPHQUASKIKX-JTQLQIEISA-N 0 0 238.128 3.368 10 0 BGAERN Brc1ccc2c(c1)[C@@H](C1CC1)CN2 ZINC000232471741 352740619 /nfs/dbraw/zinc/74/06/19/352740619.db2.gz UWVOPHQUASKIKX-SNVBAGLBSA-N 0 0 238.128 3.368 10 0 BGAERN C/C=C/COc1nc(Cl)nc2sccc21 ZINC000232476597 352739556 /nfs/dbraw/zinc/73/95/56/352739556.db2.gz PTQRGKBZRRUMAT-NSCUHMNNSA-N 0 0 240.715 3.300 10 0 BGAERN CC(=O)c1ccc(Sc2ncco2)cc1 ZINC000232479432 352742849 /nfs/dbraw/zinc/74/28/49/352742849.db2.gz ZHVKACLVRUSAOK-UHFFFAOYSA-N 0 0 219.265 3.028 10 0 BGAERN Brc1ccc(NCC2CCC2)cn1 ZINC000232481716 352746922 /nfs/dbraw/zinc/74/69/22/352746922.db2.gz HIJHWXVZFNZRCK-UHFFFAOYSA-N 0 0 241.132 3.056 10 0 BGAERN CC(=O)c1sc(NCc2ccccc2)cc1N ZINC000232489435 352748918 /nfs/dbraw/zinc/74/89/18/352748918.db2.gz POOVTKGVROVJLW-UHFFFAOYSA-N 0 0 246.335 3.145 10 0 BGAERN CC(C)(C)CNc1cccnc1Br ZINC000232491800 352753386 /nfs/dbraw/zinc/75/33/86/352753386.db2.gz CDXPMILIRRVWDE-UHFFFAOYSA-N 0 0 243.148 3.302 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COc1cc(Br)cc(NC2CC2)c1 ZINC000234942652 343703482 /nfs/dbraw/zinc/70/34/82/343703482.db2.gz IYSNOPJUQINXFJ-UHFFFAOYSA-N 0 0 242.116 3.032 10 0 BGAERN COc1ccc(Br)c(NC2CC2)c1 ZINC000234955767 344506212 /nfs/dbraw/zinc/50/62/12/344506212.db2.gz DCFLUUALUOJDSU-UHFFFAOYSA-N 0 0 242.116 3.032 10 0 BGAERN COc1cc(NC2CC2)ccc1Br ZINC000234964429 344519633 /nfs/dbraw/zinc/51/96/33/344519633.db2.gz QZNCULDTGLXVKI-UHFFFAOYSA-N 0 0 242.116 3.032 10 0 BGAERN COc1ccc(-c2ccsc2)c(C=O)c1 ZINC000235002921 344744142 /nfs/dbraw/zinc/74/41/42/344744142.db2.gz LTIASLGYZWNDIP-UHFFFAOYSA-N 0 0 218.277 3.236 10 0 BGAERN CSCCC(=O)c1c(C)cccc1C ZINC000235037742 363435561 /nfs/dbraw/zinc/43/55/61/363435561.db2.gz CZMCJBHHWILCMY-UHFFFAOYSA-N 0 0 208.326 3.239 10 0 BGAERN CSCCC(=O)c1ccc(Cl)c(F)c1 ZINC000235038606 344748881 /nfs/dbraw/zinc/74/88/81/344748881.db2.gz VMFWXJMPHBWRJV-UHFFFAOYSA-N 0 0 232.707 3.415 10 0 BGAERN COc1cccc2c1ccnc2N[C@@H]1C[C@@H]1C ZINC000235042704 357840963 /nfs/dbraw/zinc/84/09/63/357840963.db2.gz ZRHONWCZLYHWNU-JOYOIKCWSA-N 0 0 228.295 3.064 10 0 BGAERN COc1cccc2c1ccnc2N[C@@H]1C[C@H]1C ZINC000235042892 134586420 /nfs/dbraw/zinc/58/64/20/134586420.db2.gz ZRHONWCZLYHWNU-BXKDBHETSA-N 0 0 228.295 3.064 10 0 BGAERN COc1cccc2c1ccnc2N[C@H]1C[C@@H]1C ZINC000235046450 357841920 /nfs/dbraw/zinc/84/19/20/357841920.db2.gz ZRHONWCZLYHWNU-CABZTGNLSA-N 0 0 228.295 3.064 10 0 BGAERN COc1cccc2c1ccnc2N[C@H]1C[C@H]1C ZINC000235046627 134586700 /nfs/dbraw/zinc/58/67/00/134586700.db2.gz ZRHONWCZLYHWNU-SKDRFNHKSA-N 0 0 228.295 3.064 10 0 BGAERN CS[C@H]1CCC[C@H]1Nc1nc(C)cs1 ZINC000235051465 344753781 /nfs/dbraw/zinc/75/37/81/344753781.db2.gz TWTPIFHOKOJZIC-BDAKNGLRSA-N 0 0 228.386 3.148 10 0 BGAERN CSCCNc1cc(F)c(C)cc1F ZINC000235055719 344753779 /nfs/dbraw/zinc/75/37/79/344753779.db2.gz WNXVVUIWEUBHHW-UHFFFAOYSA-N 0 0 217.284 3.048 10 0 BGAERN CSc1ccc(-c2nc(C)c[nH]2)cc1 ZINC000235058750 344754507 /nfs/dbraw/zinc/75/45/07/344754507.db2.gz 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ZINC000235093966 344782988 /nfs/dbraw/zinc/78/29/88/344782988.db2.gz TWTPIFHOKOJZIC-RKDXNWHRSA-N 0 0 228.386 3.148 10 0 BGAERN Cc1csc(N[C@@H](C)CC(F)(F)F)n1 ZINC000235115605 344800901 /nfs/dbraw/zinc/80/09/01/344800901.db2.gz UZPDDWHVPBKIQN-YFKPBYRVSA-N 0 0 224.251 3.204 10 0 BGAERN CSc1ccc([C@H](C)O)c(Br)c1 ZINC000235121037 344804349 /nfs/dbraw/zinc/80/43/49/344804349.db2.gz VIPQBUYYAVPGGI-LURJTMIESA-N 0 0 247.157 3.224 10 0 BGAERN C[C@@H](CO)c1cccc(Cl)c1Cl ZINC000235123863 344804887 /nfs/dbraw/zinc/80/48/87/344804887.db2.gz GFFWGJASVXVORN-LURJTMIESA-N 0 0 205.084 3.089 10 0 BGAERN CC(=O)[C@H](C)c1ccc(F)cc1Br ZINC000235153472 344824347 /nfs/dbraw/zinc/82/43/47/344824347.db2.gz GRFYOONHRHWIJZ-LURJTMIESA-N 0 0 245.091 3.281 10 0 BGAERN CS[C@H]1CCC[C@@H]1Nc1cccc(Cl)n1 ZINC000235189447 344839352 /nfs/dbraw/zinc/83/93/52/344839352.db2.gz FUXVMUUMVCOOJS-IUCAKERBSA-N 0 0 242.775 3.431 10 0 BGAERN CS[C@H]1CCC[C@@H]1Nc1nc(C)cs1 ZINC000235192947 344841776 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ZINC000235283132 388700935 /nfs/dbraw/zinc/70/09/35/388700935.db2.gz YYUWBPZKBNMFIA-RISCZKNCSA-N 0 0 204.313 3.330 10 0 BGAERN CC1=C[C@H](C)C[C@H](CNCC(F)(F)F)C1 ZINC000235283334 535250105 /nfs/dbraw/zinc/25/01/05/535250105.db2.gz LTRDURBKMQXGTL-WPRPVWTQSA-N 0 0 221.266 3.131 10 0 BGAERN Cc1cnnc(N[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000235284795 632604379 /nfs/dbraw/zinc/60/43/79/632604379.db2.gz GZRSCDUFXQTDOG-LLVKDONJSA-N 0 0 245.301 3.406 10 0 BGAERN Cc1cnnc(N[C@H](C)c2cccs2)c1 ZINC000235285866 643347945 /nfs/dbraw/zinc/34/79/45/643347945.db2.gz PYMQWVAHXVYNIQ-SECBINFHSA-N 0 0 219.313 3.020 10 0 BGAERN Cc1ccc(CC(=O)[C@H]2C[C@H]2C)c(Cl)c1 ZINC000235293791 344875188 /nfs/dbraw/zinc/87/51/88/344875188.db2.gz FUYGVRMMDCSXPT-KOLCDFICSA-N 0 0 222.715 3.416 10 0 BGAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c2ccccc12 ZINC000235295259 357852440 /nfs/dbraw/zinc/85/24/40/357852440.db2.gz QBISRUCPAHAMJW-OTYXRUKQSA-N 0 0 243.281 3.117 10 0 BGAERN C[C@H]1S[C@@H]([C@@H](O)C(C)(C)C)CS[C@H]1C ZINC000235295839 344875642 /nfs/dbraw/zinc/87/56/42/344875642.db2.gz QLOPMKKEPASVAT-SGIHWFKDSA-N 0 0 234.430 3.019 10 0 BGAERN C[C@@H]1C[C@@]12CNc1c2cccc1Br ZINC000235296981 344875628 /nfs/dbraw/zinc/87/56/28/344875628.db2.gz QYUQEDSSBZHMJD-RDDDGLTNSA-N 0 0 238.128 3.152 10 0 BGAERN C[C@@H]1SCCC[C@@]1(O)C1=CCCCC1 ZINC000235297041 344875530 /nfs/dbraw/zinc/87/55/30/344875530.db2.gz KSXPVFNESAFHMR-JQWIXIFHSA-N 0 0 212.358 3.133 10 0 BGAERN C[C@@H]1C[C@@]12CNc1ccc(Br)cc12 ZINC000235297327 344876142 /nfs/dbraw/zinc/87/61/42/344876142.db2.gz ISOYWBWPJWALKX-RDDDGLTNSA-N 0 0 238.128 3.152 10 0 BGAERN Cc1cc(C)c(C(=O)[C@H]2C[C@H]2C)c(F)c1 ZINC000235300988 344879202 /nfs/dbraw/zinc/87/92/02/344879202.db2.gz KWACAVCEQLCMNN-SCZZXKLOSA-N 0 0 206.260 3.281 10 0 BGAERN Cc1cnc([C@@H](C)Nc2nccc3occc32)o1 ZINC000235302757 357864388 /nfs/dbraw/zinc/86/43/88/357864388.db2.gz CFGDGAQGHOLEQX-SECBINFHSA-N 0 0 243.266 3.297 10 0 BGAERN C[C@@H]1SCCC[C@]1(O)C1=CCCCC1 ZINC000235303131 344879651 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/nfs/dbraw/zinc/78/26/05/345782605.db2.gz GKYGHKKMISIZLE-YFKPBYRVSA-N 0 0 217.696 3.385 10 0 BGAERN C[C@@H]1C(=O)C[C@H]1c1csc(Cl)c1 ZINC000235713586 345792491 /nfs/dbraw/zinc/79/24/91/345792491.db2.gz CSASPBPUPQIVIJ-CAHLUQPWSA-N 0 0 200.690 3.094 10 0 BGAERN Cc1ccc(-c2cc3n(n2)CC[C@H](C)N3)s1 ZINC000235714485 582605036 /nfs/dbraw/zinc/60/50/36/582605036.db2.gz KIUWQCFZNSAEAL-QMMMGPOBSA-N 0 0 233.340 3.124 10 0 BGAERN Cc1ccsc1-c1cc2n(n1)CC[C@H](C)N2 ZINC000235714918 582605350 /nfs/dbraw/zinc/60/53/50/582605350.db2.gz WDFBQJGRWIOTLK-VIFPVBQESA-N 0 0 233.340 3.124 10 0 BGAERN C[C@]1(c2cccc(Cl)c2Cl)CO1 ZINC000235718514 345794144 /nfs/dbraw/zinc/79/41/44/345794144.db2.gz WRIROCLLQOLXSF-SECBINFHSA-N 0 0 203.068 3.239 10 0 BGAERN C[C@H]1C[C@H](C)n2nc(CC(C)(C)C)cc2N1 ZINC000235722619 643471799 /nfs/dbraw/zinc/47/17/99/643471799.db2.gz FCSJWNQQHGOIIP-UWVGGRQHSA-N 0 0 221.348 3.237 10 0 BGAERN Cc1cc(C(=O)C(F)(F)C(F)(F)F)cs1 ZINC000235738107 345821518 /nfs/dbraw/zinc/82/15/18/345821518.db2.gz 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BGAERN Cc1cc(C)c(C)c(C(=O)C(F)F)c1C ZINC000235750351 345840724 /nfs/dbraw/zinc/84/07/24/345840724.db2.gz SRKGHJPYQXMCCL-UHFFFAOYSA-N 0 0 212.239 3.368 10 0 BGAERN Cc1ccc(C)c(C(=O)C(F)(F)C(F)F)c1 ZINC000235752333 345843690 /nfs/dbraw/zinc/84/36/90/345843690.db2.gz WDZSULHKXOGYTB-UHFFFAOYSA-N 0 0 234.192 3.387 10 0 BGAERN Cc1cc(F)ccc1-c1ccoc1C=O ZINC000235752842 345843372 /nfs/dbraw/zinc/84/33/72/345843372.db2.gz DUROZYJZBGWAPL-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1c(Cl)ncnc1NC(C)(C)C1CC1 ZINC000235753671 345843531 /nfs/dbraw/zinc/84/35/31/345843531.db2.gz OZKZAHARYMNJSU-UHFFFAOYSA-N 0 0 225.723 3.039 10 0 BGAERN Cc1c(F)cccc1-c1ccoc1C=O ZINC000235756472 344123818 /nfs/dbraw/zinc/12/38/18/344123818.db2.gz BBIHEBMFDVMKFB-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1ccccc1CC(=O)[C@@H]1CC1(C)C ZINC000235763042 345851745 /nfs/dbraw/zinc/85/17/45/345851745.db2.gz IYPFLXNFMHJXGH-LBPRGKRZSA-N 0 0 202.297 3.153 10 0 BGAERN Cc1ccccc1CC(=O)[C@H]1CC1(C)C ZINC000235763458 345852767 /nfs/dbraw/zinc/85/27/67/345852767.db2.gz IYPFLXNFMHJXGH-GFCCVEGCSA-N 0 0 202.297 3.153 10 0 BGAERN Cc1cc(Br)cc2c[nH]c(=O)cc12 ZINC000235764357 350723392 /nfs/dbraw/zinc/72/33/92/350723392.db2.gz FRIRCUNGWAQDGB-UHFFFAOYSA-N 0 0 238.084 3.011 10 0 BGAERN Cc1cc(Br)c(F)cc1NC1CC1 ZINC000235766239 345852100 /nfs/dbraw/zinc/85/21/00/345852100.db2.gz IYAUOULNVLCLPO-UHFFFAOYSA-N 0 0 244.107 3.471 10 0 BGAERN Cc1cc(N)c(Cl)c(C)c1Br ZINC000235767840 345851965 /nfs/dbraw/zinc/85/19/65/345851965.db2.gz DJPBJIOAWQAHCJ-UHFFFAOYSA-N 0 0 234.524 3.302 10 0 BGAERN Cc1ccc(F)cc1C(=O)C(F)(F)C(F)F ZINC000235770128 345852494 /nfs/dbraw/zinc/85/24/94/345852494.db2.gz JMYLTLUQODLFEG-UHFFFAOYSA-N 0 0 238.155 3.217 10 0 BGAERN Cc1cc(Cl)c(C(=O)C(F)F)cc1C ZINC000235773643 345868317 /nfs/dbraw/zinc/86/83/17/345868317.db2.gz YFVPCEJFRWRBRW-UHFFFAOYSA-N 0 0 218.630 3.405 10 0 BGAERN Cc1cccc(C(=O)C(F)(F)C(F)F)c1C ZINC000235776295 345867358 /nfs/dbraw/zinc/86/73/58/345867358.db2.gz PNDNSGGDOJKSJL-UHFFFAOYSA-N 0 0 234.192 3.387 10 0 BGAERN Cc1ccc(F)cc1C(=O)[C@@H]1CC1(C)C ZINC000235776657 345868321 /nfs/dbraw/zinc/86/83/21/345868321.db2.gz SRAMHCXTULKKOD-NSHDSACASA-N 0 0 206.260 3.363 10 0 BGAERN Cc1ccc(F)cc1C(=O)[C@H]1CC1(C)C ZINC000235777219 345867754 /nfs/dbraw/zinc/86/77/54/345867754.db2.gz SRAMHCXTULKKOD-LLVKDONJSA-N 0 0 206.260 3.363 10 0 BGAERN Cc1ccccc1C(=O)C(F)(F)C(F)F ZINC000235778184 345867460 /nfs/dbraw/zinc/86/74/60/345867460.db2.gz IHEJRVROEKTNFW-UHFFFAOYSA-N 0 0 220.165 3.078 10 0 BGAERN Cc1ccsc1-c1ccc(N)c(C)n1 ZINC000235778950 344130885 /nfs/dbraw/zinc/13/08/85/344130885.db2.gz SIXJTHIPOAWPNB-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1ccsc1-c1cccc(=S)[nH]1 ZINC000235779170 345869082 /nfs/dbraw/zinc/86/90/82/345869082.db2.gz ZNWWDMZUBGLMEB-UHFFFAOYSA-N 0 0 207.323 3.407 10 0 BGAERN Cc1ccc(N)cc1-c1nc([C@@H]2CC2(C)C)no1 ZINC000235779458 632828596 /nfs/dbraw/zinc/82/85/96/632828596.db2.gz SIFXMPQODYAOGN-NSHDSACASA-N 0 0 243.310 3.141 10 0 BGAERN Cc1ccc(N)cc1-c1nc([C@H]2CC2(C)C)no1 ZINC000235779500 631384075 /nfs/dbraw/zinc/38/40/75/631384075.db2.gz SIFXMPQODYAOGN-LLVKDONJSA-N 0 0 243.310 3.141 10 0 BGAERN Cc1cc(Cl)ccc1C(=O)c1ccoc1 ZINC000235781826 398343905 /nfs/dbraw/zinc/34/39/05/398343905.db2.gz BPSMIVMLFASZQU-UHFFFAOYSA-N 0 0 220.655 3.472 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)C(F)(F)F)s1 ZINC000235782862 344131787 /nfs/dbraw/zinc/13/17/87/344131787.db2.gz OOLVUYYDXQKGJH-UHFFFAOYSA-N 0 0 244.184 3.437 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)C(F)F)c(C)c1 ZINC000235782911 345869717 /nfs/dbraw/zinc/86/97/17/345869717.db2.gz DNKOQFIOYCKAMM-UHFFFAOYSA-N 0 0 234.192 3.387 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)C(F)F)cc1C ZINC000235783039 345869928 /nfs/dbraw/zinc/86/99/28/345869928.db2.gz PFMFVCJEMBZBBO-UHFFFAOYSA-N 0 0 234.192 3.387 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)C(F)F)cc1F ZINC000235783123 345869831 /nfs/dbraw/zinc/86/98/31/345869831.db2.gz YEPRKUHKTOFFOG-UHFFFAOYSA-N 0 0 238.155 3.217 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)C(F)F)s1 ZINC000235783245 345869826 /nfs/dbraw/zinc/86/98/26/345869826.db2.gz ZMMKPOUSAHRDHV-UHFFFAOYSA-N 0 0 226.194 3.140 10 0 BGAERN Cc1ccsc1C(=O)C(F)(F)C(F)(F)F ZINC000235785433 345870333 /nfs/dbraw/zinc/87/03/33/345870333.db2.gz IJLLDAOPEJZJJN-UHFFFAOYSA-N 0 0 244.184 3.437 10 0 BGAERN Cc1ccsc1C(=O)C(F)(F)C(F)F ZINC000235785453 345870375 /nfs/dbraw/zinc/87/03/75/345870375.db2.gz YPYLSCCXYGXYMD-UHFFFAOYSA-N 0 0 226.194 3.140 10 0 BGAERN Cc1cc(N)cnc1-c1ccc(Cl)s1 ZINC000235786924 345870475 /nfs/dbraw/zinc/87/04/75/345870475.db2.gz XHOQSBYCDDHENK-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN Cc1ccnc(NC(C)(C)C)c1Br ZINC000235787065 345870566 /nfs/dbraw/zinc/87/05/66/345870566.db2.gz ORBLBIFOIFGVIL-UHFFFAOYSA-N 0 0 243.148 3.363 10 0 BGAERN Cc1c[nH]c(=S)nc1-c1ccc(Cl)s1 ZINC000235787978 345870337 /nfs/dbraw/zinc/87/03/37/345870337.db2.gz LHKHUDVVGACSAI-UHFFFAOYSA-N 0 0 242.756 3.456 10 0 BGAERN Cc1cc(N)cnc1-c1ccc(OC2CC2)cc1 ZINC000235788796 323153195 /nfs/dbraw/zinc/15/31/95/323153195.db2.gz ZBUODBMEJCETIM-UHFFFAOYSA-N 0 0 240.306 3.180 10 0 BGAERN Cc1sccc1-c1nc(=S)[nH]cc1C ZINC000235789427 345869738 /nfs/dbraw/zinc/86/97/38/345869738.db2.gz PVQJPKCVJMKXIG-UHFFFAOYSA-N 0 0 222.338 3.111 10 0 BGAERN Cc1cnccc1-c1cc(=S)cc[nH]1 ZINC000235789922 345869804 /nfs/dbraw/zinc/86/98/04/345869804.db2.gz JXDSMFBNJZDISO-UHFFFAOYSA-N 0 0 202.282 3.115 10 0 BGAERN Cc1nccc2c(Cl)c(Cl)cnc12 ZINC000235789950 345869975 /nfs/dbraw/zinc/86/99/75/345869975.db2.gz MDDRZIZMSFXABY-UHFFFAOYSA-N 0 0 213.067 3.245 10 0 BGAERN Cc1ccccc1C(=O)c1ccoc1Cl ZINC000235791337 344132691 /nfs/dbraw/zinc/13/26/91/344132691.db2.gz UMCYZEWZZWQTBA-UHFFFAOYSA-N 0 0 220.655 3.472 10 0 BGAERN Cc1ccc(CC(=O)C(F)F)c(Cl)c1 ZINC000235794200 345904879 /nfs/dbraw/zinc/90/48/79/345904879.db2.gz WXZHPMLQAHHYIS-UHFFFAOYSA-N 0 0 218.630 3.025 10 0 BGAERN Cc1cc(Cl)cc2nc(C)[nH]c(=S)c12 ZINC000235795826 345904578 /nfs/dbraw/zinc/90/45/78/345904578.db2.gz GBKKCHRPXHSMON-UHFFFAOYSA-N 0 0 224.716 3.189 10 0 BGAERN Cc1ccnc2c(Cl)c(Cl)cnc12 ZINC000235797117 345904591 /nfs/dbraw/zinc/90/45/91/345904591.db2.gz DXWMOFJWOICROG-UHFFFAOYSA-N 0 0 213.067 3.245 10 0 BGAERN Cc1cc(C)cc(C(=O)C(F)(F)C(F)F)c1 ZINC000235805134 345916647 /nfs/dbraw/zinc/91/66/47/345916647.db2.gz HFCNSWDLGOTHDQ-UHFFFAOYSA-N 0 0 234.192 3.387 10 0 BGAERN Cc1nc(Br)ccc1NC1CCC1 ZINC000235805384 345916272 /nfs/dbraw/zinc/91/62/72/345916272.db2.gz ZMXZNHSRFLQQBG-UHFFFAOYSA-N 0 0 241.132 3.117 10 0 BGAERN Cc1cc(F)ccc1C(=O)C(F)(F)C(F)F ZINC000235810003 363450888 /nfs/dbraw/zinc/45/08/88/363450888.db2.gz BYRUHBVNBZTDCP-UHFFFAOYSA-N 0 0 238.155 3.217 10 0 BGAERN Cc1sccc1C(=O)c1ncccc1Cl ZINC000235810187 345916245 /nfs/dbraw/zinc/91/62/45/345916245.db2.gz AZCNWTRUAGJCJE-UHFFFAOYSA-N 0 0 237.711 3.336 10 0 BGAERN Cc1sccc1[C@@H](N)c1ccc(Cl)o1 ZINC000235812795 345924677 /nfs/dbraw/zinc/92/46/77/345924677.db2.gz RZAYLEWMEMBIJQ-SNVBAGLBSA-N 0 0 227.716 3.351 10 0 BGAERN Cc1cc(Cl)nc(Cl)c1NC1CC1 ZINC000235816106 345924676 /nfs/dbraw/zinc/92/46/76/345924676.db2.gz JQSRUAGLCHVBKL-UHFFFAOYSA-N 0 0 217.099 3.271 10 0 BGAERN Cc1ccc(F)cc1-c1ccoc1C=O ZINC000235817158 345924534 /nfs/dbraw/zinc/92/45/34/345924534.db2.gz MYKGRNPVNQLWPT-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1sccc1[C@H](N)c1ccc(Cl)o1 ZINC000235819041 345924787 /nfs/dbraw/zinc/92/47/87/345924787.db2.gz RZAYLEWMEMBIJQ-JTQLQIEISA-N 0 0 227.716 3.351 10 0 BGAERN Cc1cc(C)c(C(=O)CC2CC2)c(F)c1 ZINC000235819963 345923890 /nfs/dbraw/zinc/92/38/90/345923890.db2.gz IVCDHRSMEIHVDZ-UHFFFAOYSA-N 0 0 206.260 3.425 10 0 BGAERN Cc1sccc1-c1cc(Cl)n[nH]c1=S ZINC000235824104 345937413 /nfs/dbraw/zinc/93/74/13/345937413.db2.gz LDISVTXJFJGTNC-UHFFFAOYSA-N 0 0 242.756 3.456 10 0 BGAERN Cc1sccc1-c1cccc(=S)[nH]1 ZINC000235825262 345937409 /nfs/dbraw/zinc/93/74/09/345937409.db2.gz FNEAAAALBXSBJP-UHFFFAOYSA-N 0 0 207.323 3.407 10 0 BGAERN Cc1[nH]c(C(=O)[C@@H]2CC2(C)C)c(C)c1C ZINC000235827813 345938772 /nfs/dbraw/zinc/93/87/72/345938772.db2.gz PNJDOMSVDSBSOH-JTQLQIEISA-N 0 0 205.301 3.169 10 0 BGAERN Cc1[nH]c(C(=O)[C@H]2CC2(C)C)c(C)c1C ZINC000235827859 345939022 /nfs/dbraw/zinc/93/90/22/345939022.db2.gz PNJDOMSVDSBSOH-SNVBAGLBSA-N 0 0 205.301 3.169 10 0 BGAERN Cc1cc(C)c(-c2noc(Cl)n2)cc1C ZINC000235830671 345944366 /nfs/dbraw/zinc/94/43/66/345944366.db2.gz MMEZEJIQUUOLOT-UHFFFAOYSA-N 0 0 222.675 3.315 10 0 BGAERN Cc1occc1SCc1ccc(Cl)nn1 ZINC000235833284 345944500 /nfs/dbraw/zinc/94/45/00/345944500.db2.gz UQWDQDNOMIVYMO-UHFFFAOYSA-N 0 0 240.715 3.324 10 0 BGAERN Cc1cc(C(=O)C2CCCCC2)ccn1 ZINC000235837944 345944952 /nfs/dbraw/zinc/94/49/52/345944952.db2.gz YSGWRSQCMATJGW-UHFFFAOYSA-N 0 0 203.285 3.153 10 0 BGAERN Cc1cc([C@H](O)c2ccoc2Cl)cs1 ZINC000235841301 345947312 /nfs/dbraw/zinc/94/73/12/345947312.db2.gz CQGRJISBDBOZOZ-VIFPVBQESA-N 0 0 228.700 3.385 10 0 BGAERN Cc1cc(C)c(OCc2ccccc2)cc1N ZINC000235844337 345947299 /nfs/dbraw/zinc/94/72/99/345947299.db2.gz WERZSJGUAPTNFA-UHFFFAOYSA-N 0 0 227.307 3.465 10 0 BGAERN Cc1cc(NC(C)(C)C2CC2)nc(Cl)n1 ZINC000235845317 345947138 /nfs/dbraw/zinc/94/71/38/345947138.db2.gz XVWPDLFNSFTYQH-UHFFFAOYSA-N 0 0 225.723 3.039 10 0 BGAERN Cc1cc(F)c(Br)c(Cl)c1N ZINC000235846281 345947302 /nfs/dbraw/zinc/94/73/02/345947302.db2.gz VNLMSKVDZFQVSB-UHFFFAOYSA-N 0 0 238.487 3.132 10 0 BGAERN Cc1cc(C)c([C@@H](O)[C@@H]2CC2(C)C)s1 ZINC000235846545 345947093 /nfs/dbraw/zinc/94/70/93/345947093.db2.gz GGPVTRJOWHJNQT-UWVGGRQHSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1nc(NC(C)(C)C)ccc1Br ZINC000235847800 345946976 /nfs/dbraw/zinc/94/69/76/345946976.db2.gz ZQQLMEQVNHYSLP-UHFFFAOYSA-N 0 0 243.148 3.363 10 0 BGAERN Cc1cc(C)c([C@@H](O)[C@H]2CC2(C)C)s1 ZINC000235848269 345947090 /nfs/dbraw/zinc/94/70/90/345947090.db2.gz GGPVTRJOWHJNQT-ZJUUUORDSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1cc([C@@H](O)c2ccoc2Cl)cs1 ZINC000235848993 345947760 /nfs/dbraw/zinc/94/77/60/345947760.db2.gz CQGRJISBDBOZOZ-SECBINFHSA-N 0 0 228.700 3.385 10 0 BGAERN Cc1cc(Cl)c2c(c1)C(=O)CSC2 ZINC000235849933 345947846 /nfs/dbraw/zinc/94/78/46/345947846.db2.gz SBNDQPYWJJHZKH-UHFFFAOYSA-N 0 0 212.701 3.078 10 0 BGAERN CC1OC(=S)N=C1c1cccc(F)c1 ZINC000235850695 345949085 /nfs/dbraw/zinc/94/90/85/345949085.db2.gz ZIHPPDLDDDPUPT-UHFFFAOYSA-N 0 0 209.245 3.078 10 0 BGAERN Cc1ccc(Br)c(NC2CC2)c1 ZINC000235851613 344148755 /nfs/dbraw/zinc/14/87/55/344148755.db2.gz FACLBAYPHSERIE-UHFFFAOYSA-N 0 0 226.117 3.332 10 0 BGAERN Cc1ccc(C)c(-c2ccoc2C=O)c1 ZINC000235854413 344147908 /nfs/dbraw/zinc/14/79/08/344147908.db2.gz UDOCPDSMHZOPBS-UHFFFAOYSA-N 0 0 200.237 3.376 10 0 BGAERN Cc1cc(NCc2ccccc2)c(N)cc1F ZINC000235854750 345949292 /nfs/dbraw/zinc/94/92/92/345949292.db2.gz PIFUHBZRSFUNJW-UHFFFAOYSA-N 0 0 230.286 3.328 10 0 BGAERN Cc1occc1Sc1ccc(C=O)o1 ZINC000235856181 344148658 /nfs/dbraw/zinc/14/86/58/344148658.db2.gz HGQGRQXNDUNVMF-UHFFFAOYSA-N 0 0 208.238 3.145 10 0 BGAERN Cc1occc1Sc1ccc(Cl)nn1 ZINC000235858537 345949772 /nfs/dbraw/zinc/94/97/72/345949772.db2.gz OKWUDAGSEDQUDP-UHFFFAOYSA-N 0 0 226.688 3.183 10 0 BGAERN Cc1cc2c(Br)ccnc2c(C)n1 ZINC000235859262 345949903 /nfs/dbraw/zinc/94/99/03/345949903.db2.gz MPQGVPAEHKZUPC-UHFFFAOYSA-N 0 0 237.100 3.009 10 0 BGAERN Cc1cc(-c2ccc(C=O)o2)c(F)cc1F ZINC000235859376 643520633 /nfs/dbraw/zinc/52/06/33/643520633.db2.gz HRGSTJRPFLMFJZ-UHFFFAOYSA-N 0 0 222.190 3.346 10 0 BGAERN Cc1ccc(C(=O)c2ccc(Cl)o2)o1 ZINC000235859857 345949622 /nfs/dbraw/zinc/94/96/22/345949622.db2.gz IKPZOYXKVQMFBP-UHFFFAOYSA-N 0 0 210.616 3.065 10 0 BGAERN Cc1cc(F)cc(-c2ccoc2C=O)c1 ZINC000235860467 345949815 /nfs/dbraw/zinc/94/98/15/345949815.db2.gz PELDZPDKHCNEBJ-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1cc(C)c([C@@H]2CCCC2=O)c(F)c1 ZINC000235863469 345949689 /nfs/dbraw/zinc/94/96/89/345949689.db2.gz VFSMAIQJDMIUFF-SNVBAGLBSA-N 0 0 206.260 3.279 10 0 BGAERN Cc1cc(-c2ccc(N)c(C)n2)cs1 ZINC000235863695 345949928 /nfs/dbraw/zinc/94/99/28/345949928.db2.gz LXJMVNKAUCALGW-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1occc1Sc1ccnc(F)c1 ZINC000235865574 345950698 /nfs/dbraw/zinc/95/06/98/345950698.db2.gz OHFUEESMOQAUNG-UHFFFAOYSA-N 0 0 209.245 3.273 10 0 BGAERN Cc1cc(-c2cccc(=S)[nH]2)cs1 ZINC000235866468 345951270 /nfs/dbraw/zinc/95/12/70/345951270.db2.gz SBMRGHQJUHLYEA-UHFFFAOYSA-N 0 0 207.323 3.407 10 0 BGAERN Cc1cc(-c2ccoc2C=O)ccc1F ZINC000235867754 345949121 /nfs/dbraw/zinc/94/91/21/345949121.db2.gz HZQVRUSJAZZSSM-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1ccc(C(=O)c2cnc(C)s2)s1 ZINC000235867964 345949106 /nfs/dbraw/zinc/94/91/06/345949106.db2.gz WAERDRPCAIHZJM-UHFFFAOYSA-N 0 0 223.322 3.052 10 0 BGAERN Cc1cc(OCc2ccccc2)c(N)cc1F ZINC000235868312 344150611 /nfs/dbraw/zinc/15/06/11/344150611.db2.gz KTTNZGLZQCEIQH-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Cc1occc1Sc1nsnc1Cl ZINC000235873095 344266374 /nfs/dbraw/zinc/26/63/74/344266374.db2.gz MHUURKCTDJJEKL-UHFFFAOYSA-N 0 0 232.717 3.244 10 0 BGAERN Cc1cc(-c2ncc(N)cc2C)cs1 ZINC000235877507 345951265 /nfs/dbraw/zinc/95/12/65/345951265.db2.gz VCWBBDDPLCUPIB-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1cc(-c2nccc(C)c2N)cs1 ZINC000235877870 384024162 /nfs/dbraw/zinc/02/41/62/384024162.db2.gz WFEKLNYHLAVORW-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1cc(F)c(NC/C=C/Cl)cc1F ZINC000235884359 345957740 /nfs/dbraw/zinc/95/77/40/345957740.db2.gz OBPFJKKEYLAHIV-NSCUHMNNSA-N 0 0 217.646 3.438 10 0 BGAERN Cc1cc(F)cc(C(=O)C(F)(F)C(F)F)c1 ZINC000235886552 363451222 /nfs/dbraw/zinc/45/12/22/363451222.db2.gz YKLKTJAORMBEET-UHFFFAOYSA-N 0 0 238.155 3.217 10 0 BGAERN Cc1cccc(C(=O)C2CC2)c1Br ZINC000235886767 345957741 /nfs/dbraw/zinc/95/77/41/345957741.db2.gz NZEYXDWVBKCZQE-UHFFFAOYSA-N 0 0 239.112 3.350 10 0 BGAERN Cc1cc([C@@H](O)[C@@H]2CC2(C)C)c(C)s1 ZINC000235889032 344266666 /nfs/dbraw/zinc/26/66/66/344266666.db2.gz PDOPWXGYNPIGRS-WDEREUQCSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1cc([C@@H](O)[C@H]2CC2(C)C)c(C)s1 ZINC000235890556 345957560 /nfs/dbraw/zinc/95/75/60/345957560.db2.gz PDOPWXGYNPIGRS-GHMZBOCLSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1ccc(F)c(-c2cc(Cl)on2)c1 ZINC000235898065 345959172 /nfs/dbraw/zinc/95/91/72/345959172.db2.gz RVJARAXXXNFSJA-UHFFFAOYSA-N 0 0 211.623 3.443 10 0 BGAERN Cc1ccc(-c2cccc(=S)[nH]2)s1 ZINC000235898956 345959312 /nfs/dbraw/zinc/95/93/12/345959312.db2.gz ZGZXUWSHRUGMTD-UHFFFAOYSA-N 0 0 207.323 3.407 10 0 BGAERN Cc1ccc(-c2ccoc2C=O)c(C)c1 ZINC000235899844 350725273 /nfs/dbraw/zinc/72/52/73/350725273.db2.gz BYSUGXBXMKXIAY-UHFFFAOYSA-N 0 0 200.237 3.376 10 0 BGAERN Cc1ccc(-c2ccoc2C=O)cc1F ZINC000235900007 345959319 /nfs/dbraw/zinc/95/93/19/345959319.db2.gz OUBULVXXAUFJGZ-UHFFFAOYSA-N 0 0 204.200 3.207 10 0 BGAERN Cc1ccc(C2=NC(=S)OC2)c(C)c1 ZINC000235903247 345956990 /nfs/dbraw/zinc/95/69/90/345956990.db2.gz OLEKJCBWJDORCI-UHFFFAOYSA-N 0 0 205.282 3.247 10 0 BGAERN Cc1cc(C)c([C@H](O)[C@@H]2CC2(C)C)s1 ZINC000235913043 345965570 /nfs/dbraw/zinc/96/55/70/345965570.db2.gz GGPVTRJOWHJNQT-VHSXEESVSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1cc(C)c([C@H](O)[C@H]2CC2(C)C)s1 ZINC000235913605 345965510 /nfs/dbraw/zinc/96/55/10/345965510.db2.gz GGPVTRJOWHJNQT-NXEZZACHSA-N 0 0 210.342 3.444 10 0 BGAERN Cc1ccc2nc(C)nc(Br)c2c1 ZINC000235914817 345965620 /nfs/dbraw/zinc/96/56/20/345965620.db2.gz RUXJFCSGJDDQGV-UHFFFAOYSA-N 0 0 237.100 3.009 10 0 BGAERN Cc1ccc(-c2ncc[nH]2)cc1Br ZINC000235915638 345965603 /nfs/dbraw/zinc/96/56/03/345965603.db2.gz HVWVTFAIUQTQDX-UHFFFAOYSA-N 0 0 237.100 3.148 10 0 BGAERN Cc1ccc(C[C@@H]2CSCC2=O)c(Cl)c1 ZINC000235916133 345965625 /nfs/dbraw/zinc/96/56/25/345965625.db2.gz QXFWGZNOYMHKIA-SNVBAGLBSA-N 0 0 240.755 3.123 10 0 BGAERN Cc1ccc(-c2nc[nH]c(=S)c2C)s1 ZINC000235916764 345965711 /nfs/dbraw/zinc/96/57/11/345965711.db2.gz YRHGEYDGXALSGD-UHFFFAOYSA-N 0 0 222.338 3.111 10 0 BGAERN Cc1cc(C)c([C@H]2CCCC2=O)c(F)c1 ZINC000235918442 345965549 /nfs/dbraw/zinc/96/55/49/345965549.db2.gz VFSMAIQJDMIUFF-JTQLQIEISA-N 0 0 206.260 3.279 10 0 BGAERN Cc1cccc([C@H](O)C2CC2)c1Br ZINC000235925534 345962208 /nfs/dbraw/zinc/96/22/08/345962208.db2.gz GHHYTIYHQYVPKS-LLVKDONJSA-N 0 0 241.128 3.201 10 0 BGAERN Cc1sccc1-c1ncc(C)cc1N ZINC000235926224 345961989 /nfs/dbraw/zinc/96/19/89/345961989.db2.gz CDXURFARCQHBSH-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Cc1cc(F)c2nccc(Cl)c2c1F ZINC000235928916 345965447 /nfs/dbraw/zinc/96/54/47/345965447.db2.gz GCZQUCRSYKNVEX-UHFFFAOYSA-N 0 0 213.614 3.475 10 0 BGAERN Cc1ccnc(NC2(C)CC2)c1Br ZINC000235929573 345965562 /nfs/dbraw/zinc/96/55/62/345965562.db2.gz VCUBMDDQEUAFCE-UHFFFAOYSA-N 0 0 241.132 3.117 10 0 BGAERN Cc1cccc(NC2CC2)c1Br ZINC000235930547 345960436 /nfs/dbraw/zinc/96/04/36/345960436.db2.gz UKURAWIULZQRJZ-UHFFFAOYSA-N 0 0 226.117 3.332 10 0 BGAERN Cc1nc(-c2cc(Cl)sc2Cl)n[nH]1 ZINC000235931748 346171266 /nfs/dbraw/zinc/17/12/66/346171266.db2.gz TXRVUFWPEUTOBW-UHFFFAOYSA-N 0 0 234.111 3.148 10 0 BGAERN Cc1nc(Cl)c2cc(F)cc(Cl)c2n1 ZINC000235933430 346171965 /nfs/dbraw/zinc/17/19/65/346171965.db2.gz PBHVUKCKVRCUEK-UHFFFAOYSA-N 0 0 231.057 3.384 10 0 BGAERN Cc1nc(Br)c2c(C)cccc2n1 ZINC000235935424 346172444 /nfs/dbraw/zinc/17/24/44/346172444.db2.gz MPJHSYWVHARAFV-UHFFFAOYSA-N 0 0 237.100 3.009 10 0 BGAERN Cc1nc(Br)c2cccc(C)c2n1 ZINC000235935835 346171834 /nfs/dbraw/zinc/17/18/34/346171834.db2.gz IVHGAUKYRJQOBI-UHFFFAOYSA-N 0 0 237.100 3.009 10 0 BGAERN Cc1nc(OC2CCC2)ccc1Br ZINC000235936191 346171059 /nfs/dbraw/zinc/17/10/59/346171059.db2.gz UUMSOENYSZJWPW-UHFFFAOYSA-N 0 0 242.116 3.084 10 0 BGAERN Cc1coc(SCc2cc(Cl)ccn2)n1 ZINC000235936735 346171837 /nfs/dbraw/zinc/17/18/37/346171837.db2.gz YVFZMBAWUPSXOD-UHFFFAOYSA-N 0 0 240.715 3.324 10 0 BGAERN Cc1nc(NC2(C)CC2)ccc1Br ZINC000235943389 346173654 /nfs/dbraw/zinc/17/36/54/346173654.db2.gz MWLCQAMKXTVMEI-UHFFFAOYSA-N 0 0 241.132 3.117 10 0 BGAERN Cc1csc([C@@H](O)c2cc[nH]c2)c1Cl ZINC000235945896 386207736 /nfs/dbraw/zinc/20/77/36/386207736.db2.gz PSBHFIRUOZSDHH-VIFPVBQESA-N 0 0 227.716 3.120 10 0 BGAERN Cc1csc([C@@H](O)c2ccoc2)c1Cl ZINC000235946734 344273191 /nfs/dbraw/zinc/27/31/91/344273191.db2.gz CUWUAVSPQOMXRX-VIFPVBQESA-N 0 0 228.700 3.385 10 0 BGAERN Cc1coc(Sc2ccc(C=O)s2)n1 ZINC000235946934 346174148 /nfs/dbraw/zinc/17/41/48/346174148.db2.gz BGFFMDFNRJERRN-UHFFFAOYSA-N 0 0 225.294 3.008 10 0 BGAERN Cc1cnc(Cl)c(NC2CCCC2)c1 ZINC000235948860 346174006 /nfs/dbraw/zinc/17/40/06/346174006.db2.gz BZOSULHNFYDVMF-UHFFFAOYSA-N 0 0 210.708 3.398 10 0 BGAERN Cc1nc(-c2ccc(Cl)s2)ccc1N ZINC000235949406 346174156 /nfs/dbraw/zinc/17/41/56/346174156.db2.gz CTYYYQQDLACJRQ-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN Cc1coc(Sc2csc(C=O)c2)n1 ZINC000235949926 346174053 /nfs/dbraw/zinc/17/40/53/346174053.db2.gz QCDFPBFWEWYHGE-UHFFFAOYSA-N 0 0 225.294 3.008 10 0 BGAERN Cc1coc(Sc2nc(Cl)cs2)n1 ZINC000235950340 346173852 /nfs/dbraw/zinc/17/38/52/346173852.db2.gz HZNNUDFZSSRTAV-UHFFFAOYSA-N 0 0 232.717 3.244 10 0 BGAERN Cc1nc(C)c(C(=O)Cc2ccsc2)s1 ZINC000235951728 346175026 /nfs/dbraw/zinc/17/50/26/346175026.db2.gz ZFJPFHVOWUORJM-UHFFFAOYSA-N 0 0 237.349 3.247 10 0 BGAERN Cc1csc(C(=O)C2CC2)c1Cl ZINC000235952929 346174939 /nfs/dbraw/zinc/17/49/39/346174939.db2.gz RFPJAVKWPLIAKJ-UHFFFAOYSA-N 0 0 200.690 3.303 10 0 BGAERN Cc1csc([C@H](O)c2cc[nH]c2)c1Cl ZINC000235956511 346175083 /nfs/dbraw/zinc/17/50/83/346175083.db2.gz PSBHFIRUOZSDHH-SECBINFHSA-N 0 0 227.716 3.120 10 0 BGAERN Cc1csc([C@H](O)c2ccoc2)c1Cl ZINC000235957079 346175152 /nfs/dbraw/zinc/17/51/52/346175152.db2.gz CUWUAVSPQOMXRX-SECBINFHSA-N 0 0 228.700 3.385 10 0 BGAERN Cc1csc(-c2csc(N)n2)c1Cl ZINC000235958866 346175536 /nfs/dbraw/zinc/17/55/36/346175536.db2.gz YPXHCTRSUMWNGI-UHFFFAOYSA-N 0 0 230.745 3.416 10 0 BGAERN Cc1csc(-c2nc(Cl)no2)c1Cl ZINC000235959445 346175628 /nfs/dbraw/zinc/17/56/28/346175628.db2.gz IJBJXMDPZFFKMQ-UHFFFAOYSA-N 0 0 235.095 3.413 10 0 BGAERN Cc1csc(-c2nn(C)c(N)c2C)c1Cl ZINC000235959737 711486717 /nfs/dbraw/zinc/48/67/17/711486717.db2.gz OEANZMVMNZZDCA-UHFFFAOYSA-N 0 0 241.747 3.001 10 0 BGAERN Cc1csc(-c2nnc(Cl)o2)c1Cl ZINC000235960134 346175614 /nfs/dbraw/zinc/17/56/14/346175614.db2.gz OAIPPXINODLOTM-UHFFFAOYSA-N 0 0 235.095 3.413 10 0 BGAERN Cc1csc(C2N=NC(=S)O2)c1Cl ZINC000235960356 346175439 /nfs/dbraw/zinc/17/54/39/346175439.db2.gz DOEAJQYGSQVONG-UHFFFAOYSA-N 0 0 232.717 3.049 10 0 BGAERN Cc1csc(C(=O)c2ccc[nH]2)c1Cl ZINC000235969388 346176112 /nfs/dbraw/zinc/17/61/12/346176112.db2.gz MAKMFCIXARRFKW-UHFFFAOYSA-N 0 0 225.700 3.269 10 0 BGAERN Cc1nc(Sc2ccc(C=O)s2)oc1C ZINC000235970461 344276116 /nfs/dbraw/zinc/27/61/16/344276116.db2.gz MISJFKBAMSQRKZ-UHFFFAOYSA-N 0 0 239.321 3.317 10 0 BGAERN Cc1cnn2c1NCC[C@@H]2C1CCCCC1 ZINC000235970828 643556563 /nfs/dbraw/zinc/55/65/63/643556563.db2.gz OVLFXTVEPAPOEB-GFCCVEGCSA-N 0 0 219.332 3.129 10 0 BGAERN Cc1csc(CC(=O)c2ccc(Cl)o2)n1 ZINC000235971045 344276137 /nfs/dbraw/zinc/27/61/37/344276137.db2.gz KRIMHTLGLJKZSR-UHFFFAOYSA-N 0 0 241.699 3.123 10 0 BGAERN Cc1cnn2c1NCC[C@H]2C1CCCCC1 ZINC000235971272 582633270 /nfs/dbraw/zinc/63/32/70/582633270.db2.gz OVLFXTVEPAPOEB-LBPRGKRZSA-N 0 0 219.332 3.129 10 0 BGAERN Cc1cc(-c2ccc3c(c2)CCC3=O)ccn1 ZINC000235975338 490185298 /nfs/dbraw/zinc/18/52/98/490185298.db2.gz JFFGUNNEMLNCKG-UHFFFAOYSA-N 0 0 223.275 3.186 10 0 BGAERN Cc1cc2n(n1)[C@H](C1CCCCC1)CCN2 ZINC000235995130 643561016 /nfs/dbraw/zinc/56/10/16/643561016.db2.gz GKLFBLADQHVPNO-LBPRGKRZSA-N 0 0 219.332 3.129 10 0 BGAERN Cc1cc2n(n1)[C@@H](C1CCCCC1)CCN2 ZINC000235995705 643561975 /nfs/dbraw/zinc/56/19/75/643561975.db2.gz GKLFBLADQHVPNO-GFCCVEGCSA-N 0 0 219.332 3.129 10 0 BGAERN Cc1nn2c(c1C)NCC[C@@H]2C1CCCC1 ZINC000236004575 582635602 /nfs/dbraw/zinc/63/56/02/582635602.db2.gz OCNSTRVCHFXFPC-GFCCVEGCSA-N 0 0 219.332 3.047 10 0 BGAERN Cc1nn2c(c1C)NCC[C@H]2C1CCCC1 ZINC000236005264 643568802 /nfs/dbraw/zinc/56/88/02/643568802.db2.gz OCNSTRVCHFXFPC-LBPRGKRZSA-N 0 0 219.332 3.047 10 0 BGAERN Cc1cnnc(N[C@H]2CCCc3ccccc32)c1 ZINC000236019813 632864471 /nfs/dbraw/zinc/86/44/71/632864471.db2.gz YVXAKNMLCNFDDQ-AWEZNQCLSA-N 0 0 239.322 3.275 10 0 BGAERN Cc1nc(-c2ccc(OC3CC3)cc2)ccc1N ZINC000236028448 325297441 /nfs/dbraw/zinc/29/74/41/325297441.db2.gz AYPRCWMMDDVYOO-UHFFFAOYSA-N 0 0 240.306 3.180 10 0 BGAERN Cc1nc(-c2ccc3c(c2)CCC3)ccc1N ZINC000236028571 488036955 /nfs/dbraw/zinc/03/69/55/488036955.db2.gz 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345041547 /nfs/dbraw/zinc/04/15/47/345041547.db2.gz WEPFAQRPMOMCAM-UHFFFAOYSA-N 0 0 239.084 3.449 10 0 BGAERN COc1cccc2c(Cl)nc(C)cc12 ZINC000238402816 537818290 /nfs/dbraw/zinc/81/82/90/537818290.db2.gz ZRVASPAKHVWFBT-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN COc1cccc2cc(C)nc(Cl)c21 ZINC000238404438 537819451 /nfs/dbraw/zinc/81/94/51/537819451.db2.gz NTTSSSMMSODRHB-UHFFFAOYSA-N 0 0 207.660 3.205 10 0 BGAERN COC(=O)c1ccc2ccc(Cl)cc2c1 ZINC000238407798 360996138 /nfs/dbraw/zinc/99/61/38/360996138.db2.gz HXTQJXBQDANXFZ-UHFFFAOYSA-N 0 0 220.655 3.280 10 0 BGAERN CSC(=S)c1cc(Cl)ccc1O ZINC000238408796 386479933 /nfs/dbraw/zinc/47/99/33/386479933.db2.gz GBCPZNMVRNBHCP-UHFFFAOYSA-N 0 0 218.730 3.084 10 0 BGAERN C[C@@H](NO)c1c(Cl)cccc1Cl ZINC000238409382 345042737 /nfs/dbraw/zinc/04/27/37/345042737.db2.gz MSHRWNCCNGBQSQ-RXMQYKEDSA-N 0 0 206.072 3.033 10 0 BGAERN C[C@@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000238409578 345042773 /nfs/dbraw/zinc/04/27/73/345042773.db2.gz CUUBHBMFBMAYJM-RXMQYKEDSA-N 0 0 206.072 3.033 10 0 BGAERN C[C@@H]1CCC[C@@H](OCCCCCCO)C1 ZINC000238409937 360996419 /nfs/dbraw/zinc/99/64/19/360996419.db2.gz BFUVCJASJWCTMY-CHWSQXEVSA-N 0 0 214.349 3.134 10 0 BGAERN Cc1ccc(NC(=O)[C@H]2CCC[C@H]2C)cc1 ZINC000238410665 259348778 /nfs/dbraw/zinc/34/87/78/259348778.db2.gz NCAWVXHSCHGENC-YPMHNXCESA-N 0 0 217.312 3.370 10 0 BGAERN C[C@@H]1CCC[C@H](OCCCCCCO)C1 ZINC000238420100 344105569 /nfs/dbraw/zinc/10/55/69/344105569.db2.gz BFUVCJASJWCTMY-OLZOCXBDSA-N 0 0 214.349 3.134 10 0 BGAERN Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2C)cc1 ZINC000238420619 259349019 /nfs/dbraw/zinc/34/90/19/259349019.db2.gz NCAWVXHSCHGENC-DGCLKSJQSA-N 0 0 217.312 3.370 10 0 BGAERN C[C@H](NO)c1c(Cl)cccc1Cl ZINC000238428220 361032485 /nfs/dbraw/zinc/03/24/85/361032485.db2.gz MSHRWNCCNGBQSQ-YFKPBYRVSA-N 0 0 206.072 3.033 10 0 BGAERN C[C@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000238428424 345046914 /nfs/dbraw/zinc/04/69/14/345046914.db2.gz CUUBHBMFBMAYJM-YFKPBYRVSA-N 0 0 206.072 3.033 10 0 BGAERN CSc1ccccc1[C@@H]1CCC[C@@H]1O ZINC000238431329 259325430 /nfs/dbraw/zinc/32/54/30/259325430.db2.gz ZRZYXYQLLLBFJK-ONGXEEELSA-N 0 0 208.326 3.037 10 0 BGAERN CSc1ccccc1[C@@H]1CCC[C@H]1O ZINC000238431376 259325479 /nfs/dbraw/zinc/32/54/79/259325479.db2.gz ZRZYXYQLLLBFJK-GXSJLCMTSA-N 0 0 208.326 3.037 10 0 BGAERN CSc1ccccc1[C@H]1CCC[C@H]1O ZINC000238432285 259325434 /nfs/dbraw/zinc/32/54/34/259325434.db2.gz ZRZYXYQLLLBFJK-MWLCHTKSSA-N 0 0 208.326 3.037 10 0 BGAERN C[C@H]([NH2+]C1CC1)c1cnc(Cl)c(Cl)c1 ZINC000238433599 343257110 /nfs/dbraw/zinc/25/71/10/343257110.db2.gz OUTHEXPSSDQKQW-LURJTMIESA-N 0 0 231.126 3.201 10 0 BGAERN Cc1cc(=O)[nH]c2c(Cl)cc(Cl)cc12 ZINC000238447070 361067680 /nfs/dbraw/zinc/06/76/80/361067680.db2.gz OWUSKEWXZDMSCN-UHFFFAOYSA-N 0 0 228.078 3.143 10 0 BGAERN Cc1ccc(C(F)F)c(OC(F)(F)F)n1 ZINC000238448001 361068274 /nfs/dbraw/zinc/06/82/74/361068274.db2.gz LFWOFHMZWMVXIC-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(N)cc(SC(F)(F)F)c1 ZINC000238448125 345050441 /nfs/dbraw/zinc/05/04/41/345050441.db2.gz PRPMMVQQXYGPTO-UHFFFAOYSA-N 0 0 207.220 3.189 10 0 BGAERN Cc1ccc(C(F)F)nc1OC(F)(F)F ZINC000238448646 361068094 /nfs/dbraw/zinc/06/80/94/361068094.db2.gz LQNSYGOLIYCNEU-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN C[C@H]1CCC[C@@H](OCCCCCCO)C1 ZINC000238451317 361079371 /nfs/dbraw/zinc/07/93/71/361079371.db2.gz BFUVCJASJWCTMY-QWHCGFSZSA-N 0 0 214.349 3.134 10 0 BGAERN Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C)cc1 ZINC000238451587 259349310 /nfs/dbraw/zinc/34/93/10/259349310.db2.gz NCAWVXHSCHGENC-AAEUAGOBSA-N 0 0 217.312 3.370 10 0 BGAERN COc1cc(Br)cc(C(F)F)c1 ZINC000238451838 345051413 /nfs/dbraw/zinc/05/14/13/345051413.db2.gz CGSJUAMVYSGFOQ-UHFFFAOYSA-N 0 0 237.043 3.395 10 0 BGAERN Cc1cc(Br)c(=S)[nH]c1C ZINC000238454661 361079715 /nfs/dbraw/zinc/07/97/15/361079715.db2.gz LZNBGRWLGSKODD-UHFFFAOYSA-N 0 0 218.119 3.124 10 0 BGAERN COc1cc(Br)c2ccncc2c1 ZINC000238454762 259454555 /nfs/dbraw/zinc/45/45/55/259454555.db2.gz FBXSAFYZRCURIQ-UHFFFAOYSA-N 0 0 238.084 3.006 10 0 BGAERN COc1cc2occc2c(Br)c1 ZINC000238454783 632099934 /nfs/dbraw/zinc/09/99/34/632099934.db2.gz HWJWPPQQMCWFMP-UHFFFAOYSA-N 0 0 227.057 3.204 10 0 BGAERN Cc1cc(Br)c(C=O)cc1Cl ZINC000238456788 386483415 /nfs/dbraw/zinc/48/34/15/386483415.db2.gz HYFWTALXUZHXHJ-UHFFFAOYSA-N 0 0 233.492 3.223 10 0 BGAERN C[C@H]1CCC[C@H](OCCCCCCO)C1 ZINC000238460560 361079821 /nfs/dbraw/zinc/07/98/21/361079821.db2.gz BFUVCJASJWCTMY-STQMWFEESA-N 0 0 214.349 3.134 10 0 BGAERN Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C)cc1 ZINC000238460865 388401679 /nfs/dbraw/zinc/40/16/79/388401679.db2.gz NCAWVXHSCHGENC-WCQYABFASA-N 0 0 217.312 3.370 10 0 BGAERN Cc1cc(Br)cc(OC(F)F)c1 ZINC000238461668 345052856 /nfs/dbraw/zinc/05/28/56/345052856.db2.gz UBPUHAFKNSTHEK-UHFFFAOYSA-N 0 0 237.043 3.359 10 0 BGAERN Cc1ccc(OC(F)(F)F)c(C(F)F)n1 ZINC000238462573 384932044 /nfs/dbraw/zinc/93/20/44/384932044.db2.gz XXTAECDMAMRHRW-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1ccc(OC(F)(F)F)nc1C(F)F ZINC000238463501 361086857 /nfs/dbraw/zinc/08/68/57/361086857.db2.gz ACNTVTCFYBYXRM-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(Br)cc2nc(Cl)[nH]c21 ZINC000238463962 361086451 /nfs/dbraw/zinc/08/64/51/361086451.db2.gz UNMYOQCXTJFGRC-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Cc1ccc(OC(F)F)cc1Br ZINC000238464108 361086866 /nfs/dbraw/zinc/08/68/66/361086866.db2.gz UMQMNVQIWDUKCK-UHFFFAOYSA-N 0 0 237.043 3.359 10 0 BGAERN Cc1ncc(C(F)F)cc1OC(F)(F)F ZINC000238464263 361087061 /nfs/dbraw/zinc/08/70/61/361087061.db2.gz SDXQSNGNSHJPKK-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1ccc(OCC(F)(F)F)cc1C ZINC000238465171 345053627 /nfs/dbraw/zinc/05/36/27/345053627.db2.gz SLCOAZCYWGRSFM-UHFFFAOYSA-N 0 0 204.191 3.245 10 0 BGAERN Cc1ccnc(C(F)F)c1OC(F)(F)F ZINC000238467313 361087589 /nfs/dbraw/zinc/08/75/89/361087589.db2.gz RRJKLWONKBGJAJ-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1c(Cl)cccc1[C@@H]1CCC[C@@H]1O ZINC000238471051 259325439 /nfs/dbraw/zinc/32/54/39/259325439.db2.gz YFVHTXAHPBUDAR-JQWIXIFHSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1c(Cl)cccc1[C@@H]1CCC[C@H]1O ZINC000238471087 259325372 /nfs/dbraw/zinc/32/53/72/259325372.db2.gz YFVHTXAHPBUDAR-CMPLNLGQSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1ccnc(OC(F)(F)F)c1C(F)F ZINC000238472332 361098584 /nfs/dbraw/zinc/09/85/84/361098584.db2.gz VQKAPKDCOFKUHF-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1c(Cl)cccc1[C@H]1CCC[C@H]1O ZINC000238473426 259325585 /nfs/dbraw/zinc/32/55/85/259325585.db2.gz YFVHTXAHPBUDAR-ZYHUDNBSSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1c[nH+]c(NCc2ccccc2)c(C)c1 ZINC000238483773 345057699 /nfs/dbraw/zinc/05/76/99/345057699.db2.gz XRSKRFULXCLSOI-UHFFFAOYSA-N 0 0 212.296 3.311 10 0 BGAERN Cc1ncc(OC(F)(F)F)cc1C(F)F ZINC000238485119 361115163 /nfs/dbraw/zinc/11/51/63/361115163.db2.gz YONXCVRAKZIBIR-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1ccc(Cl)cc1[C@@H]1CCC[C@@H]1O ZINC000238486623 259325398 /nfs/dbraw/zinc/32/53/98/259325398.db2.gz DIEVYKBSLKZLGO-JQWIXIFHSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1ccc(Cl)cc1[C@@H]1CCC[C@H]1O ZINC000238486660 259325620 /nfs/dbraw/zinc/32/56/20/259325620.db2.gz DIEVYKBSLKZLGO-CMPLNLGQSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1ccc(Cl)cc1[C@H]1CCC[C@H]1O ZINC000238487360 259325622 /nfs/dbraw/zinc/32/56/22/259325622.db2.gz DIEVYKBSLKZLGO-ZYHUDNBSSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1nccc(C(F)F)c1OC(F)(F)F ZINC000238488594 345061560 /nfs/dbraw/zinc/06/15/60/345061560.db2.gz KYQQRXKRMFWOFX-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(CO)cc2cccc(Cl)c12 ZINC000238489190 178046199 /nfs/dbraw/zinc/04/61/99/178046199.db2.gz XXZGXLCYVRBLGP-UHFFFAOYSA-N 0 0 206.672 3.294 10 0 BGAERN Cc1cc(C(C)(C)C)c(O)c2c1CCC2=O ZINC000238489545 343257103 /nfs/dbraw/zinc/25/71/03/343257103.db2.gz YGFPDRVHPNTOTA-UHFFFAOYSA-N 0 0 218.296 3.127 10 0 BGAERN Cc1nccc(OC(F)(F)F)c1C(F)F ZINC000238491366 361127393 /nfs/dbraw/zinc/12/73/93/361127393.db2.gz NCXVWKABDFVROV-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(OC(F)(F)F)c(C(F)F)cn1 ZINC000238491782 344495620 /nfs/dbraw/zinc/49/56/20/344495620.db2.gz NJOIJQMLWOSPLG-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1nc2c(cccc2OC(F)F)s1 ZINC000238493084 361128769 /nfs/dbraw/zinc/12/87/69/361128769.db2.gz XGRWREGZNGQTFW-UHFFFAOYSA-N 0 0 215.224 3.206 10 0 BGAERN Cc1nc2cc(Br)c(F)cc2o1 ZINC000238493603 537819147 /nfs/dbraw/zinc/81/91/47/537819147.db2.gz JLWIGWNROGGEJM-UHFFFAOYSA-N 0 0 230.036 3.038 10 0 BGAERN Cc1cc(OC(F)(F)F)nc(C(F)F)c1 ZINC000238495689 345060296 /nfs/dbraw/zinc/06/02/96/345060296.db2.gz AFUYOAKWNBHULD-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(C(F)(F)F)cnc1Br ZINC000238495779 343076697 /nfs/dbraw/zinc/07/66/97/343076697.db2.gz RNGBFMIZEULODE-UHFFFAOYSA-N 0 0 240.022 3.171 10 0 BGAERN Cc1ccccc1-c1nc(Br)co1 ZINC000238500522 259325483 /nfs/dbraw/zinc/32/54/83/259325483.db2.gz VULKBLNCXMPAIH-UHFFFAOYSA-N 0 0 238.084 3.413 10 0 BGAERN Cc1cc2c(ccc(Br)c2F)[nH]1 ZINC000238501527 178278124 /nfs/dbraw/zinc/27/81/24/178278124.db2.gz YDYRQBIFZAKRHF-UHFFFAOYSA-N 0 0 228.064 3.378 10 0 BGAERN Cc1c(C)c(=S)[nH]cc1Br ZINC000238502557 345065303 /nfs/dbraw/zinc/06/53/03/345065303.db2.gz XMRVECYNTDXBMG-UHFFFAOYSA-N 0 0 218.119 3.124 10 0 BGAERN Cc1nc2cccc(OC(F)F)c2s1 ZINC000238503714 345065424 /nfs/dbraw/zinc/06/54/24/345065424.db2.gz NHJKMTDFKJHYPN-UHFFFAOYSA-N 0 0 215.224 3.206 10 0 BGAERN Cc1c(Br)ccc2c1C(=O)CCC2 ZINC000238504561 345066124 /nfs/dbraw/zinc/06/61/24/345066124.db2.gz CLBRJLLIAASZOE-UHFFFAOYSA-N 0 0 239.112 3.277 10 0 BGAERN Cc1nc(C(F)F)ccc1OC(F)(F)F ZINC000238505423 363490107 /nfs/dbraw/zinc/49/01/07/363490107.db2.gz CWVUGVUVGOUWRY-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1c(Br)ccc2ncccc12 ZINC000238506295 345064044 /nfs/dbraw/zinc/06/40/44/345064044.db2.gz BQFFOKXBGUHZLJ-UHFFFAOYSA-N 0 0 222.085 3.306 10 0 BGAERN Cc1c(Br)cccc1OC(F)F ZINC000238506957 345064133 /nfs/dbraw/zinc/06/41/33/345064133.db2.gz KEUDJBATMRTUQY-UHFFFAOYSA-N 0 0 237.043 3.359 10 0 BGAERN Cc1cnc(C(F)F)c(OC(F)(F)F)c1 ZINC000238508923 361131088 /nfs/dbraw/zinc/13/10/88/361131088.db2.gz TUQRSLKCVPGEBC-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc([C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000238509001 259325520 /nfs/dbraw/zinc/32/55/20/259325520.db2.gz GELQWRSQWQYVAK-JQWIXIFHSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1c(Br)ccnc1C(F)F ZINC000238509004 345064791 /nfs/dbraw/zinc/06/47/91/345064791.db2.gz LVHVSDFRUGPCDJ-UHFFFAOYSA-N 0 0 222.032 3.090 10 0 BGAERN Cc1cnc(C(F)F)cc1Br ZINC000238509322 345064580 /nfs/dbraw/zinc/06/45/80/345064580.db2.gz IQTWSFUATZFIRE-UHFFFAOYSA-N 0 0 222.032 3.090 10 0 BGAERN Cc1cc([C@@H]2CCC[C@H]2O)ccc1Cl ZINC000238509349 259325380 /nfs/dbraw/zinc/32/53/80/259325380.db2.gz GELQWRSQWQYVAK-CMPLNLGQSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1cnc(C(F)F)cc1OC(F)(F)F ZINC000238509846 361130855 /nfs/dbraw/zinc/13/08/55/361130855.db2.gz FGVPNTAQYIHSOC-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(C(F)F)c(OC(F)(F)F)cn1 ZINC000238510349 345064685 /nfs/dbraw/zinc/06/46/85/345064685.db2.gz ZJOVWUAJAMYFTD-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(C(F)F)cc(OC(F)(F)F)n1 ZINC000238511715 361133953 /nfs/dbraw/zinc/13/39/53/361133953.db2.gz JGHFLHRGOWCRNC-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1cc(C(F)F)cnc1OC(F)(F)F ZINC000238512377 345065269 /nfs/dbraw/zinc/06/52/69/345065269.db2.gz AGLABDZKWHWSNN-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1c(Br)cncc1C(F)F ZINC000238512431 345065466 /nfs/dbraw/zinc/06/54/66/345065466.db2.gz RVUOPUSAYVGPIX-UHFFFAOYSA-N 0 0 222.032 3.090 10 0 BGAERN Cc1cc(Cl)ccc1[C@@H]1CCCC1=O ZINC000238512625 345065421 /nfs/dbraw/zinc/06/54/21/345065421.db2.gz XVXARZOWWJDPCN-NSHDSACASA-N 0 0 208.688 3.485 10 0 BGAERN Cc1cc(Cl)ccc1[C@@H]1CCC[C@@H]1O ZINC000238512759 259325495 /nfs/dbraw/zinc/32/54/95/259325495.db2.gz XAISTUXOUFPCPU-RYUDHWBXSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1cc(Cl)ccc1[C@@H]1CCC[C@H]1O ZINC000238512806 259325589 /nfs/dbraw/zinc/32/55/89/259325589.db2.gz XAISTUXOUFPCPU-NWDGAFQWSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1cc(Cl)ccc1[C@H]1CCCC1=O ZINC000238513488 361134370 /nfs/dbraw/zinc/13/43/70/361134370.db2.gz XVXARZOWWJDPCN-LLVKDONJSA-N 0 0 208.688 3.485 10 0 BGAERN Cc1cc(Cl)ccc1[C@H]1CCC[C@H]1O ZINC000238513609 259325523 /nfs/dbraw/zinc/32/55/23/259325523.db2.gz XAISTUXOUFPCPU-VXGBXAGGSA-N 0 0 210.704 3.277 10 0 BGAERN Clc1coc(-c2nc3ccccc3[nH]2)c1 ZINC000238517294 361134187 /nfs/dbraw/zinc/13/41/87/361134187.db2.gz WLVFLOUNHAQCJR-UHFFFAOYSA-N 0 0 218.643 3.476 10 0 BGAERN Cc1cc2[nH]c(Cl)nc2cc1Br ZINC000238517726 345065893 /nfs/dbraw/zinc/06/58/93/345065893.db2.gz HMMXONZPJZCBEX-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Clc1ncc(Br)cc1C1CC1 ZINC000238517934 361134369 /nfs/dbraw/zinc/13/43/69/361134369.db2.gz AMJMHDPIFFSYJK-UHFFFAOYSA-N 0 0 232.508 3.375 10 0 BGAERN Clc1ncc2c(n1)-c1ccccc1SC2 ZINC000238519644 361133817 /nfs/dbraw/zinc/13/38/17/361133817.db2.gz URQYTWFWNDISJQ-UHFFFAOYSA-N 0 0 234.711 3.403 10 0 BGAERN FC(F)(F)Oc1c(Cl)ccnc1Cl ZINC000238520830 345067476 /nfs/dbraw/zinc/06/74/76/345067476.db2.gz NIBSEVMOLYWVOL-UHFFFAOYSA-N 0 0 231.988 3.287 10 0 BGAERN FC(F)(F)Oc1c(Cl)cncc1Cl ZINC000238521404 345067430 /nfs/dbraw/zinc/06/74/30/345067430.db2.gz ZHQIQOGXHHERLS-UHFFFAOYSA-N 0 0 231.988 3.287 10 0 BGAERN Cc1cc(C(F)F)ncc1OC(F)(F)F ZINC000238521538 361139486 /nfs/dbraw/zinc/13/94/86/361139486.db2.gz IBTMUYBMFBPADK-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN Cc1nc2c(s1)Cc1cc(F)ccc1-2 ZINC000238523944 361139539 /nfs/dbraw/zinc/13/95/39/361139539.db2.gz KROMOUVPLWPCEN-UHFFFAOYSA-N 0 0 205.257 3.162 10 0 BGAERN Fc1cc(Cl)cc(F)c1OC(F)F ZINC000238524115 345068780 /nfs/dbraw/zinc/06/87/80/345068780.db2.gz PYZMHYRMYMPPIA-UHFFFAOYSA-N 0 0 214.545 3.220 10 0 BGAERN Fc1cc(F)c(OC(F)F)c(Cl)c1 ZINC000238524150 345069810 /nfs/dbraw/zinc/06/98/10/345069810.db2.gz KZDIGQZVYMJVLB-UHFFFAOYSA-N 0 0 214.545 3.220 10 0 BGAERN Fc1cccc(C(F)F)c1OC(F)F ZINC000238524231 345069495 /nfs/dbraw/zinc/06/94/95/345069495.db2.gz HEPOGQHFROIKDM-UHFFFAOYSA-N 0 0 212.117 3.365 10 0 BGAERN Fc1ccc(C(F)F)cc1OC(F)F ZINC000238524851 345069681 /nfs/dbraw/zinc/06/96/81/345069681.db2.gz ZACMZJDQNIKYRB-UHFFFAOYSA-N 0 0 212.117 3.365 10 0 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3.133 10 0 BGAERN FC(F)(F)Oc1ccc2ccncc2c1 ZINC000238550946 361149782 /nfs/dbraw/zinc/14/97/82/361149782.db2.gz OUKAYLNQGYTMFZ-UHFFFAOYSA-N 0 0 213.158 3.133 10 0 BGAERN FC(F)(F)Oc1ccc2cnccc2c1 ZINC000238550971 361149891 /nfs/dbraw/zinc/14/98/91/361149891.db2.gz IUQGAPAKWNMAOT-UHFFFAOYSA-N 0 0 213.158 3.133 10 0 BGAERN Fc1ncc(C(F)F)cc1OC(F)(F)F ZINC000238551595 361150230 /nfs/dbraw/zinc/15/02/30/361150230.db2.gz FDTWXHWSMWLZHS-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Fc1cc(OC(F)(F)F)c(C(F)F)cn1 ZINC000238552008 361149561 /nfs/dbraw/zinc/14/95/61/361149561.db2.gz PJDQPUJHKTYKCX-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Fc1nc2ccc(Br)cc2s1 ZINC000238553071 345076632 /nfs/dbraw/zinc/07/66/32/345076632.db2.gz RTTFSLVSHXZVDY-UHFFFAOYSA-N 0 0 232.077 3.198 10 0 BGAERN Fc1cccc2nc(C(F)(F)F)sc21 ZINC000238555090 181008553 /nfs/dbraw/zinc/00/85/53/181008553.db2.gz XLAXNPQLOBJALP-UHFFFAOYSA-N 0 0 221.178 3.454 10 0 BGAERN C=Cc1ccc(NC(=O)OC(C)(C)C)nc1C ZINC000238555819 187504838 /nfs/dbraw/zinc/50/48/38/187504838.db2.gz TTYUOBRTLUORKH-UHFFFAOYSA-N 0 0 234.299 3.380 10 0 BGAERN Fc1cc(C(F)F)cnc1OC(F)(F)F ZINC000238556198 361150396 /nfs/dbraw/zinc/15/03/96/361150396.db2.gz HJTFSQKLCILELQ-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Fc1cc(OC(F)(F)F)ncc1C(F)F ZINC000238556275 361150387 /nfs/dbraw/zinc/15/03/87/361150387.db2.gz DQKUHUHWIUCDTL-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Cc1c[nH]c2cc(Br)c(F)cc12 ZINC000238556485 345077735 /nfs/dbraw/zinc/07/77/35/345077735.db2.gz XCQPCVKUKYNDIN-UHFFFAOYSA-N 0 0 228.064 3.378 10 0 BGAERN Cc1c[nH]c2cc(Cl)nc(Cl)c12 ZINC000238556616 361150110 /nfs/dbraw/zinc/15/01/10/361150110.db2.gz HZXLZVCHQUOLDQ-UHFFFAOYSA-N 0 0 201.056 3.178 10 0 BGAERN Fc1cncc(C(F)F)c1OC(F)(F)F ZINC000238559564 361150067 /nfs/dbraw/zinc/15/00/67/361150067.db2.gz SQWOEIWYTDXUTR-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Fc1c(OC(F)(F)F)cncc1C(F)F ZINC000238560254 361149717 /nfs/dbraw/zinc/14/97/17/361149717.db2.gz YVKRIZYBTVHGRU-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Cc1nc(OC(F)(F)F)ccc1C(F)F ZINC000238563269 361153549 /nfs/dbraw/zinc/15/35/49/361153549.db2.gz ZKGZFXVLWKCBPK-UHFFFAOYSA-N 0 0 227.132 3.226 10 0 BGAERN FC(F)(F)c1c2nc[nH]c2ccc1Cl ZINC000238563441 345077318 /nfs/dbraw/zinc/07/73/18/345077318.db2.gz VRSQXNJYGQAXPO-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN O=C1CCc2cc(Br)cc(Cl)c21 ZINC000238565515 345079278 /nfs/dbraw/zinc/07/92/78/345079278.db2.gz FPRQFNQYLBNEOH-UHFFFAOYSA-N 0 0 245.503 3.231 10 0 BGAERN Clc1ncc(C2CCC2)c(Cl)n1 ZINC000238569246 345079490 /nfs/dbraw/zinc/07/94/90/345079490.db2.gz CZEUCNRJTBHZHY-UHFFFAOYSA-N 0 0 203.072 3.051 10 0 BGAERN Clc1ncc(C2CCCC2)c(Cl)n1 ZINC000238569301 345079686 /nfs/dbraw/zinc/07/96/86/345079686.db2.gz YVQNZRAXNJOUSA-UHFFFAOYSA-N 0 0 217.099 3.441 10 0 BGAERN FC(F)(F)c1cccc2c(Cl)n[nH]c21 ZINC000238574225 361156846 /nfs/dbraw/zinc/15/68/46/361156846.db2.gz ZSVXXKIBOCSPGX-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN FC(F)(F)c1cccn2c(Cl)cnc12 ZINC000238576060 345081829 /nfs/dbraw/zinc/08/18/29/345081829.db2.gz IHMQARNEEOOYAY-UHFFFAOYSA-N 0 0 220.581 3.007 10 0 BGAERN Fc1ccnc(OC(F)(F)F)c1C(F)F ZINC000238577672 361157100 /nfs/dbraw/zinc/15/71/00/361157100.db2.gz FUBDKAKOVDFICQ-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Nc1ccc2c(c1)Cc1c-2cc(F)cc1F ZINC000238578885 385256117 /nfs/dbraw/zinc/25/61/17/385256117.db2.gz SZCLDFCZESWHRB-UHFFFAOYSA-N 0 0 217.218 3.118 10 0 BGAERN Nc1ccc2c(c1)Cc1cc(F)cc(F)c1-2 ZINC000238578960 344595085 /nfs/dbraw/zinc/59/50/85/344595085.db2.gz FZEYUVZXPVOFQS-UHFFFAOYSA-N 0 0 217.218 3.118 10 0 BGAERN Fc1cncc(OC(F)(F)F)c1C(F)F ZINC000238580711 361157429 /nfs/dbraw/zinc/15/74/29/361157429.db2.gz FWASFDUOLRCDNX-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Nc1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000238582155 345084360 /nfs/dbraw/zinc/08/43/60/345084360.db2.gz FRDZXXBQSJIOAK-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Nc1ccc(C(F)F)cc1OC(F)(F)F ZINC000238582336 345084432 /nfs/dbraw/zinc/08/44/32/345084432.db2.gz DBKZEQYMPHOLBU-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Fc1nccc(OC(F)(F)F)c1C(F)F ZINC000238585338 361159094 /nfs/dbraw/zinc/15/90/94/361159094.db2.gz PYWDSIVSLNUYDQ-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN O=C1CCC[C@@H]1c1ccc2c(c1)CCC2 ZINC000238586200 361159249 /nfs/dbraw/zinc/15/92/49/361159249.db2.gz RKNXILKYMCHIIV-CYBMUJFWSA-N 0 0 200.281 3.012 10 0 BGAERN O=C1CCC[C@H]1c1ccc2c(c1)CCC2 ZINC000238588650 361158367 /nfs/dbraw/zinc/15/83/67/361158367.db2.gz RKNXILKYMCHIIV-ZDUSSCGKSA-N 0 0 200.281 3.012 10 0 BGAERN Nc1ccc([C@@H]2CC(F)(F)C2(F)F)cc1 ZINC000238589711 323001502 /nfs/dbraw/zinc/00/15/02/323001502.db2.gz OYEHRWHVODYPGD-QMMMGPOBSA-N 0 0 219.181 3.027 10 0 BGAERN Nc1c(OC(F)(F)F)cccc1C(F)F ZINC000238591582 361160984 /nfs/dbraw/zinc/16/09/84/361160984.db2.gz VHRGMSVXAUFXFE-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN FC(F)(F)c1ccc2[nH]cnc2c1Cl ZINC000238591766 387880243 /nfs/dbraw/zinc/88/02/43/387880243.db2.gz SLINFRZBHYNDIF-UHFFFAOYSA-N 0 0 220.581 3.235 10 0 BGAERN Nc1c(OC(F)F)ccc2ccccc12 ZINC000238592234 361161055 /nfs/dbraw/zinc/16/10/55/361161055.db2.gz MPBOOHZVCYCNRX-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Fc1ccc(OC(F)(F)F)c(C(F)F)n1 ZINC000238601286 361163490 /nfs/dbraw/zinc/16/34/90/361163490.db2.gz UWWOYVIOQPDPCP-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN FC(F)c1cc(Br)cc(Cl)n1 ZINC000238605186 361164289 /nfs/dbraw/zinc/16/42/89/361164289.db2.gz XXPMYENQEDHTHE-UHFFFAOYSA-N 0 0 242.450 3.435 10 0 BGAERN Nc1ccc(-c2ncccc2Br)cc1 ZINC000238606740 361162358 /nfs/dbraw/zinc/16/23/58/361162358.db2.gz AGKNXJWDNIMFIS-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN Nc1cc2ccccc2c(OC(F)F)c1 ZINC000238607439 361162377 /nfs/dbraw/zinc/16/23/77/361162377.db2.gz ICIIJULBHKAXQS-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1ccc(OC(F)(F)F)c(C(F)F)c1 ZINC000238608767 361163546 /nfs/dbraw/zinc/16/35/46/361163546.db2.gz ZDQOUNZHXQCNQV-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Nc1ccc(OCC=C(Cl)Cl)cc1F ZINC000238610700 345092336 /nfs/dbraw/zinc/09/23/36/345092336.db2.gz JONKJYHRHWOYPS-UHFFFAOYSA-N 0 0 236.073 3.106 10 0 BGAERN Fc1ccc(OC(F)(F)F)nc1C(F)F ZINC000238613176 361165729 /nfs/dbraw/zinc/16/57/29/361165729.db2.gz JCJINXWDRHUSCS-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Nc1ccc2c(cccc2C(F)(F)F)c1 ZINC000238617175 387885891 /nfs/dbraw/zinc/88/58/91/387885891.db2.gz VQNKUKJMYOBIPE-UHFFFAOYSA-N 0 0 211.186 3.441 10 0 BGAERN [NH3+]Cc1cc(-c2ccc(Cl)cc2)co1 ZINC000238617627 345094565 /nfs/dbraw/zinc/09/45/65/345094565.db2.gz AGXNHXAYXLPLJI-UHFFFAOYSA-N 0 0 207.660 3.059 10 0 BGAERN Nc1ccc2c(cccc2OC(F)F)c1 ZINC000238618863 361166913 /nfs/dbraw/zinc/16/69/13/361166913.db2.gz LPLYMUYVCOXZHN-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1ccc2cc(OC(F)F)ccc2c1 ZINC000238619844 361166944 /nfs/dbraw/zinc/16/69/44/361166944.db2.gz SWVBFWJNGRLLRF-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1cccc(C(F)F)c1OC(F)(F)F ZINC000238620275 411302930 /nfs/dbraw/zinc/30/29/30/411302930.db2.gz FUGSRMUZGDOJBD-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Nc1ccc2ccc(OC(F)F)cc2c1 ZINC000238620463 411303181 /nfs/dbraw/zinc/30/31/81/411303181.db2.gz IWGMJNUZNFDCPX-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1ccc2cccc(C(F)(F)F)c2c1 ZINC000238620648 345093774 /nfs/dbraw/zinc/09/37/74/345093774.db2.gz SADFEBAHYXVNTE-UHFFFAOYSA-N 0 0 211.186 3.441 10 0 BGAERN Nc1ccc2cccc(OC(F)F)c2c1 ZINC000238620949 344696510 /nfs/dbraw/zinc/69/65/10/344696510.db2.gz YFJHXKMTYADPCX-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1ccc2ccccc2c1OC(F)F ZINC000238621366 345093530 /nfs/dbraw/zinc/09/35/30/345093530.db2.gz VGIGRGORXGNUJE-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Fc1cc(C(F)(F)F)cnc1C(F)F ZINC000238624942 345096794 /nfs/dbraw/zinc/09/67/94/345096794.db2.gz OHKHDIMMDZCJSI-UHFFFAOYSA-N 0 0 215.096 3.177 10 0 BGAERN Nc1cccc(OC(F)(F)F)c1C(F)F ZINC000238627366 361167637 /nfs/dbraw/zinc/16/76/37/361167637.db2.gz FKYGTQFYWRPUSG-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Nc1cc2ccccc2cc1C(F)(F)F ZINC000238629337 345095689 /nfs/dbraw/zinc/09/56/89/345095689.db2.gz HWGQOBLLCLYRDH-UHFFFAOYSA-N 0 0 211.186 3.441 10 0 BGAERN Nc1cc2ccccc2cc1OC(F)F ZINC000238629639 361167777 /nfs/dbraw/zinc/16/77/77/361167777.db2.gz DIXPEQXZPDOMLY-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Fc1cc(F)c(F)c2nc(Cl)sc21 ZINC000238634285 537818121 /nfs/dbraw/zinc/81/81/21/537818121.db2.gz QYQHRXBTJKBBHJ-UHFFFAOYSA-N 0 0 223.606 3.367 10 0 BGAERN Nc1cccc2cc(OC(F)F)ccc12 ZINC000238635083 387886242 /nfs/dbraw/zinc/88/62/42/387886242.db2.gz KSMNPWASBPPTSX-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1cc(C(F)F)ccc1OC(F)(F)F ZINC000238635317 387886183 /nfs/dbraw/zinc/88/61/83/387886183.db2.gz UGMJHSUCDNWEIV-UHFFFAOYSA-N 0 0 227.132 3.105 10 0 BGAERN Nc1cccc2ccc(OC(F)F)cc12 ZINC000238635555 387886225 /nfs/dbraw/zinc/88/62/25/387886225.db2.gz WHHFDLADUPJWJK-UHFFFAOYSA-N 0 0 209.195 3.023 10 0 BGAERN Nc1ccccc1-c1cc(Br)ccn1 ZINC000238649872 345099826 /nfs/dbraw/zinc/09/98/26/345099826.db2.gz GQUQYACIESQIDS-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN Nc1ccccc1-c1ncccc1Br ZINC000238651240 345100543 /nfs/dbraw/zinc/10/05/43/345100543.db2.gz WKZPKNBZVGLAMI-UHFFFAOYSA-N 0 0 249.111 3.093 10 0 BGAERN N[C@H](c1ccc(Cl)cc1Cl)C(F)F ZINC000238653477 345102784 /nfs/dbraw/zinc/10/27/84/345102784.db2.gz RMIARBWCILLJPP-SSDOTTSWSA-N 0 0 226.053 3.258 10 0 BGAERN Fc1ccnc(C(F)F)c1OC(F)(F)F ZINC000238655646 361171500 /nfs/dbraw/zinc/17/15/00/361171500.db2.gz BPZIQAQFWUIFBS-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Fc1c(OC(F)(F)F)ccnc1C(F)F ZINC000238656556 361171588 /nfs/dbraw/zinc/17/15/88/361171588.db2.gz LJBJTAZWZFYWOJ-UHFFFAOYSA-N 0 0 231.095 3.057 10 0 BGAERN Oc1cc(C(F)(F)F)ccc1C(F)F ZINC000238659477 345103585 /nfs/dbraw/zinc/10/35/85/345103585.db2.gz DSVMUDUTRUDZHA-UHFFFAOYSA-N 0 0 212.117 3.349 10 0 BGAERN FC(F)c1nc2c(cccc2Br)[nH]1 ZINC000238662697 345104797 /nfs/dbraw/zinc/10/47/97/345104797.db2.gz LZZHDVMHXCUXFA-UHFFFAOYSA-N 0 0 247.042 3.263 10 0 BGAERN Oc1ccc2c(cccc2OC(F)F)c1 ZINC000238668141 361175348 /nfs/dbraw/zinc/17/53/48/361175348.db2.gz IXLZYSWYUJIWGA-UHFFFAOYSA-N 0 0 210.179 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/nfs/dbraw/zinc/02/92/07/386029207.db2.gz VXYYQRJVVAFXQK-UHFFFAOYSA-N 0 0 233.094 3.369 10 0 BGAERN O=C(c1c(Cl)ccnc1Cl)C1CCC1 ZINC000261508753 386029134 /nfs/dbraw/zinc/02/91/34/386029134.db2.gz WOFOZTTXUVXSLV-UHFFFAOYSA-N 0 0 230.094 3.371 10 0 BGAERN CC(=O)c1cc(C(F)(F)F)c(Cl)cc1N ZINC000261508867 386029039 /nfs/dbraw/zinc/02/90/39/386029039.db2.gz XUSJWPKKFCHZDC-UHFFFAOYSA-N 0 0 237.608 3.144 10 0 BGAERN O=c1[nH]cnc2cc(Cl)c(C(F)(F)F)cc12 ZINC000261509112 183308771 /nfs/dbraw/zinc/30/87/71/183308771.db2.gz ZWEGUUPJRMHBHT-UHFFFAOYSA-N 0 0 248.591 3.008 10 0 BGAERN CCC[C@H]([NH2+][C@H]1CCC[C@H](C(C)C)C1)C(=O)[O-] ZINC000261542852 135183455 /nfs/dbraw/zinc/18/34/55/135183455.db2.gz QTGUVPJIAVPXLO-AVGNSLFASA-N 0 0 241.375 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(=O)[O-] ZINC000261542853 135183193 /nfs/dbraw/zinc/18/31/93/135183193.db2.gz QTGUVPJIAVPXLO-XQQFMLRXSA-N 0 0 241.375 3.044 10 0 BGAERN CC1(CN2CCCc3c(N)cccc32)CCC1 ZINC000261566588 135208805 /nfs/dbraw/zinc/20/88/05/135208805.db2.gz ZDKSNKIPZHSXKL-UHFFFAOYSA-N 0 0 230.355 3.212 10 0 BGAERN CCC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)[O-] ZINC000261584838 135226419 /nfs/dbraw/zinc/22/64/19/135226419.db2.gz QBGYAJOTDRJGDD-GHMZBOCLSA-N 0 0 229.364 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C(=O)[O-] ZINC000261584839 135225893 /nfs/dbraw/zinc/22/58/93/135225893.db2.gz QBGYAJOTDRJGDD-MNOVXSKESA-N 0 0 229.364 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)[O-] ZINC000261584840 135226434 /nfs/dbraw/zinc/22/64/34/135226434.db2.gz QBGYAJOTDRJGDD-QWRGUYRKSA-N 0 0 229.364 3.044 10 0 BGAERN CCC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C(=O)[O-] ZINC000261584841 135225878 /nfs/dbraw/zinc/22/58/78/135225878.db2.gz QBGYAJOTDRJGDD-WDEREUQCSA-N 0 0 229.364 3.044 10 0 BGAERN CNc1ccc(NC(=O)C[C@H](C)C(C)(C)C)cn1 ZINC000262235469 135286668 /nfs/dbraw/zinc/28/66/68/135286668.db2.gz OKIMVXWGBANCNR-JTQLQIEISA-N 0 0 249.358 3.134 10 0 BGAERN CNc1ccc(NC(=O)C[C@@H](C)C(C)(C)C)cn1 ZINC000262235471 135286369 /nfs/dbraw/zinc/28/63/69/135286369.db2.gz OKIMVXWGBANCNR-SNVBAGLBSA-N 0 0 249.358 3.134 10 0 BGAERN CCC[C@H]([NH2+]CCC1CCCCCC1)C(=O)[O-] ZINC000263374039 535703771 /nfs/dbraw/zinc/70/37/71/535703771.db2.gz ZPLBWXUHFARJBL-ZDUSSCGKSA-N 0 0 241.375 3.190 10 0 BGAERN CCC[C@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C(=O)[O-] ZINC000263378721 135350502 /nfs/dbraw/zinc/35/05/02/135350502.db2.gz BBVNXDZFYDGLJE-AGIUHOORSA-N 0 0 243.391 3.290 10 0 BGAERN CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C(=O)[O-] ZINC000263378722 135350694 /nfs/dbraw/zinc/35/06/94/135350694.db2.gz BBVNXDZFYDGLJE-AVGNSLFASA-N 0 0 243.391 3.290 10 0 BGAERN CCC[C@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C(=O)[O-] ZINC000263378723 135350312 /nfs/dbraw/zinc/35/03/12/135350312.db2.gz BBVNXDZFYDGLJE-UPJWGTAASA-N 0 0 243.391 3.290 10 0 BGAERN CCC[C@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C(=O)[O-] ZINC000263378724 135350559 /nfs/dbraw/zinc/35/05/59/135350559.db2.gz BBVNXDZFYDGLJE-XQQFMLRXSA-N 0 0 243.391 3.290 10 0 BGAERN CCCC[C@@H]([NH2+]C1CC(C(C)(C)C)C1)C(=O)[O-] ZINC000263397428 135351285 /nfs/dbraw/zinc/35/12/85/135351285.db2.gz GZQQIGHMRXRQGM-HTAVTVPLSA-N 0 0 241.375 3.044 10 0 BGAERN CCC[C@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)[O-] ZINC000263446308 135355357 /nfs/dbraw/zinc/35/53/57/135355357.db2.gz XZIIZXAJFYNUOM-AAEUAGOBSA-N 0 0 241.375 3.188 10 0 BGAERN CCC[C@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)[O-] ZINC000263446313 135355429 /nfs/dbraw/zinc/35/54/29/135355429.db2.gz XZIIZXAJFYNUOM-YPMHNXCESA-N 0 0 241.375 3.188 10 0 BGAERN CCC[C@H]([NH2+]C[C@H](CC)c1ccccc1)C(=O)[O-] ZINC000263447684 135355375 /nfs/dbraw/zinc/35/53/75/135355375.db2.gz YJIKKBWHWUCUTK-JSGCOSHPSA-N 0 0 249.354 3.023 10 0 BGAERN CCC[C@H]([NH2+]C[C@@H](CC)c1ccccc1)C(=O)[O-] ZINC000263447685 135355119 /nfs/dbraw/zinc/35/51/19/135355119.db2.gz YJIKKBWHWUCUTK-OCCSQVGLSA-N 0 0 249.354 3.023 10 0 BGAERN Cc1ccc([C@@H](C)[NH2+]CCCCC(=O)[O-])cc1C ZINC000263573583 178839177 /nfs/dbraw/zinc/83/91/77/178839177.db2.gz MOEJTUUWYHYNSX-CYBMUJFWSA-N 0 0 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/nfs/dbraw/zinc/20/67/90/187206790.db2.gz SEMVYBQMELTORI-SUZMYJTESA-N 0 0 233.359 3.330 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@H](C)[C@H]2C)nnc1C ZINC000302324941 386922973 /nfs/dbraw/zinc/92/29/73/386922973.db2.gz SEMVYBQMELTORI-UFGOTCBOSA-N 0 0 233.359 3.330 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@H](C)[C@@H]2C)nnc1C ZINC000302324943 386922361 /nfs/dbraw/zinc/92/23/61/386922361.db2.gz SEMVYBQMELTORI-XHVZSJERSA-N 0 0 233.359 3.330 10 0 BGAERN CC(C)C[C@@H](N)c1nc(CCC(C)(C)C)no1 ZINC000302339977 592546315 /nfs/dbraw/zinc/54/63/15/592546315.db2.gz UTUJGGVISZTPLZ-SNVBAGLBSA-N 0 0 239.363 3.094 10 0 BGAERN COc1cc(C)c(-c2cc(C)c(N)cn2)cc1C ZINC000302352955 384148324 /nfs/dbraw/zinc/14/83/24/384148324.db2.gz WTVYWWCSMVFURS-UHFFFAOYSA-N 0 0 242.322 3.265 10 0 BGAERN CCc1ccc(N[C@@H]2CCCC[C@H]2O)cc1C ZINC000302364176 487958063 /nfs/dbraw/zinc/95/80/63/487958063.db2.gz YNANZJPLPHLMNQ-HUUCEWRRSA-N 0 0 233.355 3.273 10 0 BGAERN CC1(C)Cc2cc(-c3cncc(N)c3)ccc2O1 ZINC000302366936 384149487 /nfs/dbraw/zinc/14/94/87/384149487.db2.gz HEQODOYAAIGTQA-UHFFFAOYSA-N 0 0 240.306 3.044 10 0 BGAERN Nc1cncc(-c2ccc3c(c2)CCCC3)c1 ZINC000302415992 384168880 /nfs/dbraw/zinc/16/88/80/384168880.db2.gz LDUZHCKNXFGEAL-UHFFFAOYSA-N 0 0 224.307 3.210 10 0 BGAERN CSCCCCCNc1cc(C)c(C)nn1 ZINC000302480214 175475089 /nfs/dbraw/zinc/47/50/89/175475089.db2.gz REABDJCLWNKMNH-UHFFFAOYSA-N 0 0 239.388 3.039 10 0 BGAERN Cc1ccccc1-c1c(N)n[nH]c1C(C)(F)F ZINC000302486290 537893749 /nfs/dbraw/zinc/89/37/49/537893749.db2.gz ZFUYDILAPJZHSH-UHFFFAOYSA-N 0 0 237.253 3.079 10 0 BGAERN CCC(CC)N(C)c1nc(C(C)(C)C)ns1 ZINC000302511375 168368413 /nfs/dbraw/zinc/36/84/13/168368413.db2.gz OBYXZNXHUXAXRG-UHFFFAOYSA-N 0 0 241.404 3.460 10 0 BGAERN C[C@@H]1C[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000302512760 386924504 /nfs/dbraw/zinc/92/45/04/386924504.db2.gz OROIOYXMQTWCAO-JMCQJSRRSA-N 0 0 234.249 3.333 10 0 BGAERN C[C@H]1C[C@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000302512761 386925702 /nfs/dbraw/zinc/92/57/02/386925702.db2.gz OROIOYXMQTWCAO-JVXZTZIISA-N 0 0 234.249 3.333 10 0 BGAERN C[C@@H]1C[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000302512762 176406316 /nfs/dbraw/zinc/40/63/16/176406316.db2.gz OROIOYXMQTWCAO-KRTXAFLBSA-N 0 0 234.249 3.333 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000302512763 177350665 /nfs/dbraw/zinc/35/06/65/177350665.db2.gz OROIOYXMQTWCAO-MADCSZMMSA-N 0 0 234.249 3.333 10 0 BGAERN Cc1cc(NCC(C)(C)C(C)C)nnc1C ZINC000302514973 178154622 /nfs/dbraw/zinc/15/46/22/178154622.db2.gz UZIUUUXITQBFHA-UHFFFAOYSA-N 0 0 221.348 3.188 10 0 BGAERN CC[C@@H]1C[C@@H]1Nc1ccc(OC(F)(F)F)cn1 ZINC000302570911 171124559 /nfs/dbraw/zinc/12/45/59/171124559.db2.gz PKPFMEMKVFHCIO-APPZFPTMSA-N 0 0 246.232 3.191 10 0 BGAERN CC[C@H]1C[C@@H]1Nc1ccc(OC(F)(F)F)cn1 ZINC000302570913 386927179 /nfs/dbraw/zinc/92/71/79/386927179.db2.gz PKPFMEMKVFHCIO-CBAPKCEASA-N 0 0 246.232 3.191 10 0 BGAERN CC[C@H]1C[C@H]1Nc1ccc(OC(F)(F)F)cn1 ZINC000302570915 386927888 /nfs/dbraw/zinc/92/78/88/386927888.db2.gz PKPFMEMKVFHCIO-IONNQARKSA-N 0 0 246.232 3.191 10 0 BGAERN CC[C@@H]1C[C@H]1Nc1ccc(OC(F)(F)F)cn1 ZINC000302570917 171142188 /nfs/dbraw/zinc/14/21/88/171142188.db2.gz PKPFMEMKVFHCIO-VXNVDRBHSA-N 0 0 246.232 3.191 10 0 BGAERN CC[C@@H](N)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000302573273 592549670 /nfs/dbraw/zinc/54/96/70/592549670.db2.gz AKUZJZMSCIUDHE-LLVKDONJSA-N 0 0 249.358 3.163 10 0 BGAERN CC[C@H](N)c1nc(C(C2CCC2)C2CCC2)no1 ZINC000302573276 592549519 /nfs/dbraw/zinc/54/95/19/592549519.db2.gz AKUZJZMSCIUDHE-NSHDSACASA-N 0 0 249.358 3.163 10 0 BGAERN C[C@@H]1CCN(c2ncccc2N)c2ccccc21 ZINC000302577908 350089905 /nfs/dbraw/zinc/08/99/05/350089905.db2.gz BTTNTMZOHBHELF-LLVKDONJSA-N 0 0 239.322 3.309 10 0 BGAERN C[C@H]1CCN(c2ncccc2N)c2ccccc21 ZINC000302577909 350089924 /nfs/dbraw/zinc/08/99/24/350089924.db2.gz BTTNTMZOHBHELF-NSHDSACASA-N 0 0 239.322 3.309 10 0 BGAERN CC(C)c1nn(C)cc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000302635335 323027489 /nfs/dbraw/zinc/02/74/89/323027489.db2.gz DRRKJTPWYHILNQ-QJPTWQEYSA-N 0 0 233.359 3.144 10 0 BGAERN Cc1ccnc(N(C)Cc2ccc(C)c(F)c2)c1 ZINC000302647398 386930165 /nfs/dbraw/zinc/93/01/65/386930165.db2.gz AXGIJTUAHBIVQG-UHFFFAOYSA-N 0 0 244.313 3.474 10 0 BGAERN Cc1cc(N[C@H]2CCC[C@H](C)CC2)nnc1C ZINC000302651918 178189192 /nfs/dbraw/zinc/18/91/92/178189192.db2.gz KDMHLJREYNRRMY-GWCFXTLKSA-N 0 0 233.359 3.474 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@H](C)CC2)nnc1C ZINC000302651921 188415042 /nfs/dbraw/zinc/41/50/42/188415042.db2.gz KDMHLJREYNRRMY-GXFFZTMASA-N 0 0 233.359 3.474 10 0 BGAERN Cc1cc(N[C@H]2CCC[C@@H](C)CC2)nnc1C ZINC000302651924 178189398 /nfs/dbraw/zinc/18/93/98/178189398.db2.gz KDMHLJREYNRRMY-MFKMUULPSA-N 0 0 233.359 3.474 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@@H](C)CC2)nnc1C ZINC000302651928 187546078 /nfs/dbraw/zinc/54/60/78/187546078.db2.gz KDMHLJREYNRRMY-ZWNOBZJWSA-N 0 0 233.359 3.474 10 0 BGAERN C[C@H](CCNc1ncns1)CC(C)(C)C ZINC000302655323 385001906 /nfs/dbraw/zinc/00/19/06/385001906.db2.gz KROXBDWGOHVEEN-SECBINFHSA-N 0 0 227.377 3.412 10 0 BGAERN C[C@@H](CCNc1ncns1)CC(C)(C)C ZINC000302655324 175676193 /nfs/dbraw/zinc/67/61/93/175676193.db2.gz KROXBDWGOHVEEN-VIFPVBQESA-N 0 0 227.377 3.412 10 0 BGAERN Clc1cncnc1N1CCC[C@H]1c1ccco1 ZINC000302658907 386929157 /nfs/dbraw/zinc/92/91/57/386929157.db2.gz OONSLUUJZGARTQ-JTQLQIEISA-N 0 0 249.701 3.065 10 0 BGAERN Clc1cncnc1N1CCC[C@@H]1c1ccco1 ZINC000302658911 386930332 /nfs/dbraw/zinc/93/03/32/386930332.db2.gz OONSLUUJZGARTQ-SNVBAGLBSA-N 0 0 249.701 3.065 10 0 BGAERN Cc1ccc(CN(C)c2ncccc2F)cc1F ZINC000302659520 386930355 /nfs/dbraw/zinc/93/03/55/386930355.db2.gz DTFJCWFHZYNPQD-UHFFFAOYSA-N 0 0 248.276 3.305 10 0 BGAERN CC[C@H](Nc1cncc(C)n1)c1cccs1 ZINC000302660072 171552222 /nfs/dbraw/zinc/55/22/22/171552222.db2.gz LMXKWWKNRBVIIL-JTQLQIEISA-N 0 0 233.340 3.410 10 0 BGAERN CC[C@@H](Nc1cncc(C)n1)c1cccs1 ZINC000302660073 346607484 /nfs/dbraw/zinc/60/74/84/346607484.db2.gz LMXKWWKNRBVIIL-SNVBAGLBSA-N 0 0 233.340 3.410 10 0 BGAERN C[C@@H]1C[C@@H]1Nc1ccnc2c(F)cccc12 ZINC000302675708 385005037 /nfs/dbraw/zinc/00/50/37/385005037.db2.gz MOOJYXHLEJGGOK-PELKAZGASA-N 0 0 216.259 3.194 10 0 BGAERN C[C@@H]1C[C@H]1Nc1ccnc2c(F)cccc12 ZINC000302675709 385004557 /nfs/dbraw/zinc/00/45/57/385004557.db2.gz MOOJYXHLEJGGOK-PRHODGIISA-N 0 0 216.259 3.194 10 0 BGAERN C[C@H]1C[C@H]1Nc1ccnc2c(F)cccc12 ZINC000302675710 191120425 /nfs/dbraw/zinc/12/04/25/191120425.db2.gz MOOJYXHLEJGGOK-QPUJVOFHSA-N 0 0 216.259 3.194 10 0 BGAERN C[C@H]1C[C@@H]1Nc1ccnc2c(F)cccc12 ZINC000302675711 177350633 /nfs/dbraw/zinc/35/06/33/177350633.db2.gz MOOJYXHLEJGGOK-UFBFGSQYSA-N 0 0 216.259 3.194 10 0 BGAERN COc1cccc2c1ncc(C)c2N[C@@H]1C[C@H]1C ZINC000302680046 175300404 /nfs/dbraw/zinc/30/04/04/175300404.db2.gz WHQTXYVRDHJMBO-BXKDBHETSA-N 0 0 242.322 3.372 10 0 BGAERN COc1cccc2c1ncc(C)c2N[C@H]1C[C@@H]1C ZINC000302680047 175299793 /nfs/dbraw/zinc/29/97/93/175299793.db2.gz WHQTXYVRDHJMBO-CABZTGNLSA-N 0 0 242.322 3.372 10 0 BGAERN COc1cccc2c1ncc(C)c2N[C@@H]1C[C@@H]1C ZINC000302680048 175300151 /nfs/dbraw/zinc/30/01/51/175300151.db2.gz WHQTXYVRDHJMBO-JOYOIKCWSA-N 0 0 242.322 3.372 10 0 BGAERN COc1cccc2c1ncc(C)c2N[C@H]1C[C@H]1C ZINC000302680049 175300496 /nfs/dbraw/zinc/30/04/96/175300496.db2.gz WHQTXYVRDHJMBO-SKDRFNHKSA-N 0 0 242.322 3.372 10 0 BGAERN CCCCC[C@@H](C)Nc1cc(C)c(C)nn1 ZINC000302718573 385017176 /nfs/dbraw/zinc/01/71/76/385017176.db2.gz GTYRWGXSNWXTGF-LLVKDONJSA-N 0 0 221.348 3.474 10 0 BGAERN CCCCC[C@H](C)Nc1cc(C)c(C)nn1 ZINC000302718574 385018142 /nfs/dbraw/zinc/01/81/42/385018142.db2.gz GTYRWGXSNWXTGF-NSHDSACASA-N 0 0 221.348 3.474 10 0 BGAERN Clc1cncnc1N[C@@H]1CCc2ccccc21 ZINC000302726076 386933516 /nfs/dbraw/zinc/93/35/16/386933516.db2.gz RZZWXUSBASWYLM-GFCCVEGCSA-N 0 0 245.713 3.229 10 0 BGAERN Clc1cncnc1N[C@H]1CCc2ccccc21 ZINC000302726077 386934072 /nfs/dbraw/zinc/93/40/72/386934072.db2.gz RZZWXUSBASWYLM-LBPRGKRZSA-N 0 0 245.713 3.229 10 0 BGAERN Cc1cc(N[C@H](C)CCC(C)C)nnc1C ZINC000302731685 178185463 /nfs/dbraw/zinc/18/54/63/178185463.db2.gz MPAAXIFTWNWFEZ-LLVKDONJSA-N 0 0 221.348 3.330 10 0 BGAERN Cc1cc(N[C@@H](C)CCC(C)C)nnc1C ZINC000302731688 187815559 /nfs/dbraw/zinc/81/55/59/187815559.db2.gz MPAAXIFTWNWFEZ-NSHDSACASA-N 0 0 221.348 3.330 10 0 BGAERN Cc1ccc(CN(C)c2ccccn2)cc1F ZINC000302732193 386934662 /nfs/dbraw/zinc/93/46/62/386934662.db2.gz UEPDDCNWMVKIGV-UHFFFAOYSA-N 0 0 230.286 3.166 10 0 BGAERN Cc1cccc(N(C)Cc2ccc(C)c(F)c2)n1 ZINC000302734531 179118133 /nfs/dbraw/zinc/11/81/33/179118133.db2.gz VXMRBKYACMNWJK-UHFFFAOYSA-N 0 0 244.313 3.474 10 0 BGAERN Cc1ccc(CN(C)c2cccc(F)n2)cc1F ZINC000302741118 386933556 /nfs/dbraw/zinc/93/35/56/386933556.db2.gz ZABVVFYYJPWGAF-UHFFFAOYSA-N 0 0 248.276 3.305 10 0 BGAERN CC(C)[C@@H](C)Nc1ncnc2c(F)cccc12 ZINC000302762204 167387455 /nfs/dbraw/zinc/38/74/55/167387455.db2.gz KORPLKUMIYRHRK-SECBINFHSA-N 0 0 233.290 3.225 10 0 BGAERN CC(C)[C@H](C)Nc1ncnc2c(F)cccc12 ZINC000302762206 187206650 /nfs/dbraw/zinc/20/66/50/187206650.db2.gz KORPLKUMIYRHRK-VIFPVBQESA-N 0 0 233.290 3.225 10 0 BGAERN CC[C@H]1C[C@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302762472 385016845 /nfs/dbraw/zinc/01/68/45/385016845.db2.gz KMTSNJIKHFMDRV-NTSWFWBYSA-N 0 0 236.262 3.372 10 0 BGAERN CC[C@@H]1C[C@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302762473 171142051 /nfs/dbraw/zinc/14/20/51/171142051.db2.gz KMTSNJIKHFMDRV-PHDIDXHHSA-N 0 0 236.262 3.372 10 0 BGAERN CC[C@@H]1C[C@@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302762474 171124501 /nfs/dbraw/zinc/12/45/01/171124501.db2.gz KMTSNJIKHFMDRV-RITPCOANSA-N 0 0 236.262 3.372 10 0 BGAERN CC[C@H]1C[C@@H]1Nc1ncc(C(F)(F)F)s1 ZINC000302762475 385017336 /nfs/dbraw/zinc/01/73/36/385017336.db2.gz KMTSNJIKHFMDRV-WDSKDSINSA-N 0 0 236.262 3.372 10 0 BGAERN CO[C@@H]1CC[C@@H](Nc2nccc3oc(C)cc32)C1 ZINC000302770249 386936706 /nfs/dbraw/zinc/93/67/06/386936706.db2.gz MPXARYMJCXLQNE-GHMZBOCLSA-N 0 0 246.310 3.116 10 0 BGAERN CO[C@H]1CC[C@@H](Nc2nccc3oc(C)cc32)C1 ZINC000302770250 386937434 /nfs/dbraw/zinc/93/74/34/386937434.db2.gz MPXARYMJCXLQNE-MNOVXSKESA-N 0 0 246.310 3.116 10 0 BGAERN CO[C@H]1CC[C@H](Nc2nccc3oc(C)cc32)C1 ZINC000302770251 386936819 /nfs/dbraw/zinc/93/68/19/386936819.db2.gz MPXARYMJCXLQNE-QWRGUYRKSA-N 0 0 246.310 3.116 10 0 BGAERN CO[C@@H]1CC[C@H](Nc2nccc3oc(C)cc32)C1 ZINC000302770252 174764933 /nfs/dbraw/zinc/76/49/33/174764933.db2.gz MPXARYMJCXLQNE-WDEREUQCSA-N 0 0 246.310 3.116 10 0 BGAERN Cc1cc(NCCC2=CCCC2)nnc1C ZINC000302787616 178158079 /nfs/dbraw/zinc/15/80/79/178158079.db2.gz BCVLREOTARTQBT-UHFFFAOYSA-N 0 0 217.316 3.006 10 0 BGAERN CCC1(CNc2cc(C)c(C)nn2)CCC1 ZINC000302787635 168483545 /nfs/dbraw/zinc/48/35/45/168483545.db2.gz BFPLTCYGUDQLQL-UHFFFAOYSA-N 0 0 219.332 3.086 10 0 BGAERN CCC[C@@H](CC)Nc1cc(C)c(C)nn1 ZINC000302788444 169380407 /nfs/dbraw/zinc/38/04/07/169380407.db2.gz CINDMJZMUGKBIH-LLVKDONJSA-N 0 0 207.321 3.084 10 0 BGAERN CCC[C@H](CC)Nc1cc(C)c(C)nn1 ZINC000302788445 169497071 /nfs/dbraw/zinc/49/70/71/169497071.db2.gz CINDMJZMUGKBIH-NSHDSACASA-N 0 0 207.321 3.084 10 0 BGAERN Cc1cc(N[C@@H]2CCCC2(C)C)nnc1C ZINC000302793731 178180837 /nfs/dbraw/zinc/18/08/37/178180837.db2.gz HKDAQJZJRXTDMW-LLVKDONJSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@H]2CCCC2(C)C)nnc1C ZINC000302793732 178189326 /nfs/dbraw/zinc/18/93/26/178189326.db2.gz HKDAQJZJRXTDMW-NSHDSACASA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(NCC2(C)CCCC2)nnc1C ZINC000302794049 178157264 /nfs/dbraw/zinc/15/72/64/178157264.db2.gz HVRBYYUZGDTUNI-UHFFFAOYSA-N 0 0 219.332 3.086 10 0 BGAERN CCSCC[C@H](C)Nc1cc(C)c(C)nn1 ZINC000302794567 385020510 /nfs/dbraw/zinc/02/05/10/385020510.db2.gz IPSYVHLWMNUPJZ-JTQLQIEISA-N 0 0 239.388 3.037 10 0 BGAERN CCSCC[C@@H](C)Nc1cc(C)c(C)nn1 ZINC000302794568 170641667 /nfs/dbraw/zinc/64/16/67/170641667.db2.gz IPSYVHLWMNUPJZ-SNVBAGLBSA-N 0 0 239.388 3.037 10 0 BGAERN Cc1cc(NCCC2CCCC2)nnc1C ZINC000302794972 178157907 /nfs/dbraw/zinc/15/79/07/178157907.db2.gz JLQIAPFJYMKFTR-UHFFFAOYSA-N 0 0 219.332 3.086 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@@H](C)C2)nnc1C ZINC000302795302 191120389 /nfs/dbraw/zinc/12/03/89/191120389.db2.gz JXKPOSPAFBUFHC-BXKDBHETSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@H]2CCC[C@H](C)C2)nnc1C ZINC000302795303 178188727 /nfs/dbraw/zinc/18/87/27/178188727.db2.gz JXKPOSPAFBUFHC-CABZTGNLSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@@H]2CCC[C@H](C)C2)nnc1C ZINC000302795304 191121906 /nfs/dbraw/zinc/12/19/06/191121906.db2.gz JXKPOSPAFBUFHC-JOYOIKCWSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@H]2CCC[C@@H](C)C2)nnc1C ZINC000302795305 178189130 /nfs/dbraw/zinc/18/91/30/178189130.db2.gz JXKPOSPAFBUFHC-SKDRFNHKSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@@H](C)CCC2CC2)nnc1C ZINC000302823200 385010801 /nfs/dbraw/zinc/01/08/01/385010801.db2.gz UOTZTYMXRFRJOP-JTQLQIEISA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@H](C)CCC2CC2)nnc1C ZINC000302823201 178185784 /nfs/dbraw/zinc/18/57/84/178185784.db2.gz UOTZTYMXRFRJOP-SNVBAGLBSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@H]2CC[C@H](C)CC2)nnc1C ZINC000302823745 178182682 /nfs/dbraw/zinc/18/26/82/178182682.db2.gz VJGWZVWZXDRDEG-OTCDBFHCSA-N 0 0 219.332 3.084 10 0 BGAERN Cc1cc(N[C@@H](C)c2cccs2)nnc1C ZINC000302823894 178179740 /nfs/dbraw/zinc/17/97/40/178179740.db2.gz VYGKFKOSKURTIA-JTQLQIEISA-N 0 0 233.340 3.328 10 0 BGAERN Cc1cc(N[C@H](C)c2cccs2)nnc1C ZINC000302823895 178186757 /nfs/dbraw/zinc/18/67/57/178186757.db2.gz VYGKFKOSKURTIA-SNVBAGLBSA-N 0 0 233.340 3.328 10 0 BGAERN CCCC1(CNc2cc(C)c(C)nn2)CC1 ZINC000302824932 385010329 /nfs/dbraw/zinc/01/03/29/385010329.db2.gz XWMSABQCRGGSTK-UHFFFAOYSA-N 0 0 219.332 3.086 10 0 BGAERN CCCCCCNc1cc(C)c(C)nn1 ZINC000302825551 385008873 /nfs/dbraw/zinc/00/88/73/385008873.db2.gz ZBJNRXFXJPSQAG-UHFFFAOYSA-N 0 0 207.321 3.086 10 0 BGAERN Cc1cc(NCCSC(C)(C)C)nnc1C ZINC000302825963 178161497 /nfs/dbraw/zinc/16/14/97/178161497.db2.gz ZQSHTJFREMGJGL-UHFFFAOYSA-N 0 0 239.388 3.037 10 0 BGAERN Cc1ccc(Cl)c(OC[C@@H](O)C(C)(C)C)c1 ZINC000302832382 229288427 /nfs/dbraw/zinc/28/84/27/229288427.db2.gz AWKREWSPOYXJSQ-GFCCVEGCSA-N 0 0 242.746 3.434 10 0 BGAERN Cc1ccc(Cl)c(OC[C@H](O)C(C)(C)C)c1 ZINC000302832384 229288457 /nfs/dbraw/zinc/28/84/57/229288457.db2.gz AWKREWSPOYXJSQ-LBPRGKRZSA-N 0 0 242.746 3.434 10 0 BGAERN CC(C)(C)[C@H](O)CSc1cc(F)ccc1F ZINC000302832491 526716712 /nfs/dbraw/zinc/71/67/12/526716712.db2.gz HAXWNPQQFNEPHV-LLVKDONJSA-N 0 0 246.322 3.464 10 0 BGAERN CC(C)(C)[C@@H](O)CSc1cc(F)ccc1F ZINC000302832493 526645064 /nfs/dbraw/zinc/64/50/64/526645064.db2.gz HAXWNPQQFNEPHV-NSHDSACASA-N 0 0 246.322 3.464 10 0 BGAERN CC(C)(C)[C@H](O)CSc1ccc(F)c(F)c1 ZINC000302832707 526716485 /nfs/dbraw/zinc/71/64/85/526716485.db2.gz PHGNLRMIDHMDDJ-LLVKDONJSA-N 0 0 246.322 3.464 10 0 BGAERN CC(C)(C)[C@@H](O)CSc1ccc(F)c(F)c1 ZINC000302832708 526646586 /nfs/dbraw/zinc/64/65/86/526646586.db2.gz PHGNLRMIDHMDDJ-NSHDSACASA-N 0 0 246.322 3.464 10 0 BGAERN COc1ccc(SC[C@@H](O)C(C)(C)C)cc1 ZINC000302832949 175175489 /nfs/dbraw/zinc/17/54/89/175175489.db2.gz USHPWNXVUDZEIK-GFCCVEGCSA-N 0 0 240.368 3.194 10 0 BGAERN COc1ccc(SC[C@H](O)C(C)(C)C)cc1 ZINC000302832950 175175473 /nfs/dbraw/zinc/17/54/73/175175473.db2.gz USHPWNXVUDZEIK-LBPRGKRZSA-N 0 0 240.368 3.194 10 0 BGAERN Cc1cnc(NCCSC(F)(F)F)s1 ZINC000302840266 385010948 /nfs/dbraw/zinc/01/09/48/385010948.db2.gz LJVXEEKXCHXTET-UHFFFAOYSA-N 0 0 242.291 3.116 10 0 BGAERN Cc1cnc(N[C@@H]2CCOc3ccccc32)s1 ZINC000302847531 386941884 /nfs/dbraw/zinc/94/18/84/386941884.db2.gz ONJRVBZIJUJTCB-LLVKDONJSA-N 0 0 246.335 3.387 10 0 BGAERN Cc1cnc(N[C@H]2CCOc3ccccc32)s1 ZINC000302847534 386941910 /nfs/dbraw/zinc/94/19/10/386941910.db2.gz ONJRVBZIJUJTCB-NSHDSACASA-N 0 0 246.335 3.387 10 0 BGAERN Cc1ccnc(Oc2ccc(C)c(F)c2)n1 ZINC000302860432 386941365 /nfs/dbraw/zinc/94/13/65/386941365.db2.gz OZJYGORCDSZYCT-UHFFFAOYSA-N 0 0 218.231 3.025 10 0 BGAERN Cc1cc(Oc2ccc(C)c(F)c2)nc(C)n1 ZINC000302860687 178214212 /nfs/dbraw/zinc/21/42/12/178214212.db2.gz PEJHOZZDQQSSNT-UHFFFAOYSA-N 0 0 232.258 3.333 10 0 BGAERN CCc1nsc(Oc2ccc(C)c(F)c2)n1 ZINC000302862805 172107479 /nfs/dbraw/zinc/10/74/79/172107479.db2.gz RMLUJHNJUBJDMM-UHFFFAOYSA-N 0 0 238.287 3.340 10 0 BGAERN Cc1cc(Oc2ccc(C)c(F)c2)ncn1 ZINC000302865967 178214200 /nfs/dbraw/zinc/21/42/00/178214200.db2.gz UUYXZZIERLKKAK-UHFFFAOYSA-N 0 0 218.231 3.025 10 0 BGAERN CC[C@@H](Nc1ncc(C)s1)c1ccncc1 ZINC000302873799 346609518 /nfs/dbraw/zinc/60/95/18/346609518.db2.gz DLFJFOIOEHLNMR-LLVKDONJSA-N 0 0 233.340 3.410 10 0 BGAERN CC[C@H](Nc1ncc(C)s1)c1ccncc1 ZINC000302873800 171553249 /nfs/dbraw/zinc/55/32/49/171553249.db2.gz DLFJFOIOEHLNMR-NSHDSACASA-N 0 0 233.340 3.410 10 0 BGAERN Cc1cnc(N[C@H](C)c2nccs2)s1 ZINC000302885533 386943015 /nfs/dbraw/zinc/94/30/15/386943015.db2.gz MKFOYWVGIDLSML-SSDOTTSWSA-N 0 0 225.342 3.081 10 0 BGAERN Cc1cnc(NCc2nc(C)sc2C)s1 ZINC000302894644 385013197 /nfs/dbraw/zinc/01/31/97/385013197.db2.gz QKFCWFATTRETIM-UHFFFAOYSA-N 0 0 239.369 3.137 10 0 BGAERN Cc1ccccc1[C@@H](C)NC(=O)NCCC(C)C ZINC000302897399 566320712 /nfs/dbraw/zinc/32/07/12/566320712.db2.gz MOULUIRIYBVZDC-CYBMUJFWSA-N 0 0 248.370 3.401 10 0 BGAERN Cc1ccccc1[C@H](C)NC(=O)NCCC(C)C ZINC000302897401 566320787 /nfs/dbraw/zinc/32/07/87/566320787.db2.gz MOULUIRIYBVZDC-ZDUSSCGKSA-N 0 0 248.370 3.401 10 0 BGAERN Cc1cnc(N[C@H](C)c2cccc(O)c2)s1 ZINC000302904539 385024726 /nfs/dbraw/zinc/02/47/26/385024726.db2.gz VEDHAHIWAFDBEM-SECBINFHSA-N 0 0 234.324 3.330 10 0 BGAERN Cc1cnc(NCC2(C3CC3)CC2)s1 ZINC000302910884 386945262 /nfs/dbraw/zinc/94/52/62/386945262.db2.gz ZIPYHALIFXUGTN-UHFFFAOYSA-N 0 0 208.330 3.054 10 0 BGAERN Cc1cnc([C@H](C)NCCSC(C)(C)C)o1 ZINC000303496236 644828878 /nfs/dbraw/zinc/82/88/78/644828878.db2.gz HEXVXUFZRJLFCF-JTQLQIEISA-N 0 0 242.388 3.165 10 0 BGAERN Cc1cnc([C@@H](C)NCCSC(C)(C)C)o1 ZINC000303496237 644827955 /nfs/dbraw/zinc/82/79/55/644827955.db2.gz HEXVXUFZRJLFCF-SNVBAGLBSA-N 0 0 242.388 3.165 10 0 BGAERN CC(C)(C)[C@H](O)CNc1ccc(F)c(Cl)c1 ZINC000304192044 488051309 /nfs/dbraw/zinc/05/13/09/488051309.db2.gz AQLJSDFQWMHPAL-LLVKDONJSA-N 0 0 245.725 3.298 10 0 BGAERN CC(C)(C)[C@@H](O)CNc1ccc(F)c(Cl)c1 ZINC000304192046 488050781 /nfs/dbraw/zinc/05/07/81/488050781.db2.gz AQLJSDFQWMHPAL-NSHDSACASA-N 0 0 245.725 3.298 10 0 BGAERN Cc1cccc(N[C@H](C)c2cn[nH]c2)c1F ZINC000304194891 179157465 /nfs/dbraw/zinc/15/74/65/179157465.db2.gz BDZVJOQELZHNBT-SECBINFHSA-N 0 0 219.263 3.030 10 0 BGAERN Cc1cccc(N[C@@H](C)c2cn[nH]c2)c1F ZINC000304194894 179153575 /nfs/dbraw/zinc/15/35/75/179153575.db2.gz BDZVJOQELZHNBT-VIFPVBQESA-N 0 0 219.263 3.030 10 0 BGAERN CCc1ccc(NC[C@@H](O)C(C)(C)C)cc1 ZINC000304212467 324186502 /nfs/dbraw/zinc/18/65/02/324186502.db2.gz FMBKDVUHAOXILM-CYBMUJFWSA-N 0 0 221.344 3.068 10 0 BGAERN CCc1ccc(NC[C@H](O)C(C)(C)C)cc1 ZINC000304212469 324186406 /nfs/dbraw/zinc/18/64/06/324186406.db2.gz FMBKDVUHAOXILM-ZDUSSCGKSA-N 0 0 221.344 3.068 10 0 BGAERN CSc1cccc(NC[C@@H](O)C(C)(C)C)c1 ZINC000304214364 350144972 /nfs/dbraw/zinc/14/49/72/350144972.db2.gz FYUWPHBNNPNULI-GFCCVEGCSA-N 0 0 239.384 3.227 10 0 BGAERN CSc1cccc(NC[C@H](O)C(C)(C)C)c1 ZINC000304214366 350145097 /nfs/dbraw/zinc/14/50/97/350145097.db2.gz FYUWPHBNNPNULI-LBPRGKRZSA-N 0 0 239.384 3.227 10 0 BGAERN Cc1ccc(C)c(NC[C@@H](O)C(C)(C)C)c1 ZINC000304224040 411354974 /nfs/dbraw/zinc/35/49/74/411354974.db2.gz ILZBVRYXROVYNQ-CYBMUJFWSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1ccc(C)c(NC[C@H](O)C(C)(C)C)c1 ZINC000304224042 411355574 /nfs/dbraw/zinc/35/55/74/411355574.db2.gz ILZBVRYXROVYNQ-ZDUSSCGKSA-N 0 0 221.344 3.122 10 0 BGAERN COc1cccc(SC[C@@H](O)C(C)(C)C)c1 ZINC000304231055 175285669 /nfs/dbraw/zinc/28/56/69/175285669.db2.gz KSZAOLMIRDLJQV-GFCCVEGCSA-N 0 0 240.368 3.194 10 0 BGAERN COc1cccc(SC[C@H](O)C(C)(C)C)c1 ZINC000304231057 175285760 /nfs/dbraw/zinc/28/57/60/175285760.db2.gz KSZAOLMIRDLJQV-LBPRGKRZSA-N 0 0 240.368 3.194 10 0 BGAERN Cc1cccc(NC[C@@H](O)C(C)(C)C)c1C ZINC000304234260 350146107 /nfs/dbraw/zinc/14/61/07/350146107.db2.gz LSNLRLXNSHGLNC-CYBMUJFWSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1cccc(NC[C@H](O)C(C)(C)C)c1C ZINC000304234261 350146279 /nfs/dbraw/zinc/14/62/79/350146279.db2.gz LSNLRLXNSHGLNC-ZDUSSCGKSA-N 0 0 221.344 3.122 10 0 BGAERN CC(C)(C)[C@@H](O)COc1cccc(Cl)c1F ZINC000304236656 526645227 /nfs/dbraw/zinc/64/52/27/526645227.db2.gz MNQDARPCUDNLLB-JTQLQIEISA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@H](O)COc1cccc(Cl)c1F ZINC000304236657 526716163 /nfs/dbraw/zinc/71/61/63/526716163.db2.gz MNQDARPCUDNLLB-SNVBAGLBSA-N 0 0 246.709 3.265 10 0 BGAERN Cc1ccc(NC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000304238814 350146585 /nfs/dbraw/zinc/14/65/85/350146585.db2.gz NDOLWYILWLLEDG-CYBMUJFWSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1ccc(NC[C@H](O)C(C)(C)C)c(C)c1 ZINC000304238815 350146773 /nfs/dbraw/zinc/14/67/73/350146773.db2.gz NDOLWYILWLLEDG-ZDUSSCGKSA-N 0 0 221.344 3.122 10 0 BGAERN CC(C)SCCOc1cccc([C@@H](C)O)c1 ZINC000304242154 644881103 /nfs/dbraw/zinc/88/11/03/644881103.db2.gz DNTRZLHBDBOLPM-LLVKDONJSA-N 0 0 240.368 3.260 10 0 BGAERN CC(C)SCCOc1cccc([C@H](C)O)c1 ZINC000304242155 644880353 /nfs/dbraw/zinc/88/03/53/644880353.db2.gz DNTRZLHBDBOLPM-NSHDSACASA-N 0 0 240.368 3.260 10 0 BGAERN CSc1ccc(NC[C@@H](O)C(C)(C)C)cc1 ZINC000304243115 350150302 /nfs/dbraw/zinc/15/03/02/350150302.db2.gz OIVLSZXBZNBECB-GFCCVEGCSA-N 0 0 239.384 3.227 10 0 BGAERN CSc1ccc(NC[C@H](O)C(C)(C)C)cc1 ZINC000304243117 350150724 /nfs/dbraw/zinc/15/07/24/350150724.db2.gz OIVLSZXBZNBECB-LBPRGKRZSA-N 0 0 239.384 3.227 10 0 BGAERN Cc1cc(C)cc(NC[C@@H](O)C(C)(C)C)c1 ZINC000304246205 411355135 /nfs/dbraw/zinc/35/51/35/411355135.db2.gz PKQLTVXJEMTFDW-CYBMUJFWSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1cc(C)cc(NC[C@H](O)C(C)(C)C)c1 ZINC000304246206 411355521 /nfs/dbraw/zinc/35/55/21/411355521.db2.gz PKQLTVXJEMTFDW-ZDUSSCGKSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1cc(C)nc(SC[C@@H](O)C(C)(C)C)c1 ZINC000304251775 537939478 /nfs/dbraw/zinc/93/94/78/537939478.db2.gz RDUPVZPUGUJMEM-LLVKDONJSA-N 0 0 239.384 3.198 10 0 BGAERN Cc1cc(C)nc(SC[C@H](O)C(C)(C)C)c1 ZINC000304251777 537939382 /nfs/dbraw/zinc/93/93/82/537939382.db2.gz RDUPVZPUGUJMEM-NSHDSACASA-N 0 0 239.384 3.198 10 0 BGAERN CC(C)(C)[C@H](O)COc1ccc(Cl)c(F)c1 ZINC000304254604 526716123 /nfs/dbraw/zinc/71/61/23/526716123.db2.gz RSLQWOCAZWYWBB-LLVKDONJSA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@@H](O)COc1ccc(Cl)c(F)c1 ZINC000304254606 386966487 /nfs/dbraw/zinc/96/64/87/386966487.db2.gz RSLQWOCAZWYWBB-NSHDSACASA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@H](O)CSc1ccc(F)cc1F ZINC000304255810 526716069 /nfs/dbraw/zinc/71/60/69/526716069.db2.gz SBJNXTOLMAWGQT-LLVKDONJSA-N 0 0 246.322 3.464 10 0 BGAERN CC(C)(C)[C@@H](O)CSc1ccc(F)cc1F ZINC000304255813 526646870 /nfs/dbraw/zinc/64/68/70/526646870.db2.gz SBJNXTOLMAWGQT-NSHDSACASA-N 0 0 246.322 3.464 10 0 BGAERN CC[C@H](Nc1nc([C@@H](C)OC)ns1)C(C)C ZINC000304270796 387454991 /nfs/dbraw/zinc/45/49/91/387454991.db2.gz KOLJUAVBAAJBRO-BDAKNGLRSA-N 0 0 243.376 3.092 10 0 BGAERN CC[C@@H](Nc1nc([C@H](C)OC)ns1)C(C)C ZINC000304270799 357161288 /nfs/dbraw/zinc/16/12/88/357161288.db2.gz KOLJUAVBAAJBRO-DTWKUNHWSA-N 0 0 243.376 3.092 10 0 BGAERN CC[C@H](Nc1nc([C@H](C)OC)ns1)C(C)C ZINC000304270800 387454984 /nfs/dbraw/zinc/45/49/84/387454984.db2.gz KOLJUAVBAAJBRO-IUCAKERBSA-N 0 0 243.376 3.092 10 0 BGAERN CC[C@@H](Nc1nc([C@@H](C)OC)ns1)C(C)C ZINC000304270803 357161315 /nfs/dbraw/zinc/16/13/15/357161315.db2.gz KOLJUAVBAAJBRO-RKDXNWHRSA-N 0 0 243.376 3.092 10 0 BGAERN CCc1ccccc1N[C@H](C)c1cn[nH]c1 ZINC000304271026 171889031 /nfs/dbraw/zinc/88/90/31/171889031.db2.gz VRURYHIKZMFYKB-SNVBAGLBSA-N 0 0 215.300 3.145 10 0 BGAERN CCc1cccc(NC[C@@H](O)C(C)(C)C)c1 ZINC000304273982 350148729 /nfs/dbraw/zinc/14/87/29/350148729.db2.gz WDJQLLNMBGIFMX-CYBMUJFWSA-N 0 0 221.344 3.068 10 0 BGAERN CCc1cccc(NC[C@H](O)C(C)(C)C)c1 ZINC000304273985 350148910 /nfs/dbraw/zinc/14/89/10/350148910.db2.gz WDJQLLNMBGIFMX-ZDUSSCGKSA-N 0 0 221.344 3.068 10 0 BGAERN Cc1ccc(NC[C@@H](O)C(C)(C)C)cc1C ZINC000304275569 350148629 /nfs/dbraw/zinc/14/86/29/350148629.db2.gz WJOVTWUCOKHSBP-CYBMUJFWSA-N 0 0 221.344 3.122 10 0 BGAERN Cc1ccc(NC[C@H](O)C(C)(C)C)cc1C ZINC000304275570 350148562 /nfs/dbraw/zinc/14/85/62/350148562.db2.gz WJOVTWUCOKHSBP-ZDUSSCGKSA-N 0 0 221.344 3.122 10 0 BGAERN CCc1nc(C)cc(N[C@H](CC)C(C)C)n1 ZINC000304277466 357160946 /nfs/dbraw/zinc/16/09/46/357160946.db2.gz DRAMBGRVVKJDGP-LLVKDONJSA-N 0 0 221.348 3.194 10 0 BGAERN CCc1nc(C)cc(N[C@@H](CC)C(C)C)n1 ZINC000304277471 357160976 /nfs/dbraw/zinc/16/09/76/357160976.db2.gz DRAMBGRVVKJDGP-NSHDSACASA-N 0 0 221.348 3.194 10 0 BGAERN CC(C)(C)[C@H](O)COc1ccc(F)cc1Cl ZINC000304285858 526716867 /nfs/dbraw/zinc/71/68/67/526716867.db2.gz YCNOPOREUAZYNW-LLVKDONJSA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@@H](O)COc1ccc(F)cc1Cl ZINC000304285859 526644844 /nfs/dbraw/zinc/64/48/44/526644844.db2.gz YCNOPOREUAZYNW-NSHDSACASA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@H](O)COc1ccc(Cl)cc1F ZINC000304289756 526716177 /nfs/dbraw/zinc/71/61/77/526716177.db2.gz NMELIQZWJSWPRY-LLVKDONJSA-N 0 0 246.709 3.265 10 0 BGAERN CC(C)(C)[C@@H](O)COc1ccc(Cl)cc1F ZINC000304289760 526644868 /nfs/dbraw/zinc/64/48/68/526644868.db2.gz NMELIQZWJSWPRY-NSHDSACASA-N 0 0 246.709 3.265 10 0 BGAERN C[C@@H](O)c1cccc(OCCCCCF)c1 ZINC000304453741 644908306 /nfs/dbraw/zinc/90/83/06/644908306.db2.gz YFDIZIODCKQJDN-LLVKDONJSA-N 0 0 226.291 3.259 10 0 BGAERN C[C@H](O)c1cccc(OCCCCCF)c1 ZINC000304453742 644908763 /nfs/dbraw/zinc/90/87/63/644908763.db2.gz YFDIZIODCKQJDN-NSHDSACASA-N 0 0 226.291 3.259 10 0 BGAERN Nc1ccc2ccn(CCCCCF)c2c1 ZINC000304457183 350160499 /nfs/dbraw/zinc/16/04/99/350160499.db2.gz ZEKGTSSHNNKDIC-UHFFFAOYSA-N 0 0 220.291 3.363 10 0 BGAERN CC(C)c1nn(C)cc1N[C@@H](C)c1ccoc1 ZINC000305894092 343872493 /nfs/dbraw/zinc/87/24/93/343872493.db2.gz MDAONWCWZUROCX-JTQLQIEISA-N 0 0 233.315 3.310 10 0 BGAERN CC(C)c1nn(C)cc1N[C@H](C)c1ccoc1 ZINC000305894093 343872407 /nfs/dbraw/zinc/87/24/07/343872407.db2.gz MDAONWCWZUROCX-SNVBAGLBSA-N 0 0 233.315 3.310 10 0 BGAERN c1ccc2c(c1)NCCN2CCC1CCCC1 ZINC000305896587 229385756 /nfs/dbraw/zinc/38/57/56/229385756.db2.gz LLMBUELKVXJORO-UHFFFAOYSA-N 0 0 230.355 3.499 10 0 BGAERN Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1F ZINC000305942023 343915994 /nfs/dbraw/zinc/91/59/94/343915994.db2.gz FKTOSPFDESVQSJ-JGPRNRPPSA-N 0 0 233.286 3.119 10 0 BGAERN Cc1ccc(-c2c(N)n[nH]c2C(C)(F)F)cc1 ZINC000305967892 538042056 /nfs/dbraw/zinc/04/20/56/538042056.db2.gz GGHGDNQIRQLCQJ-UHFFFAOYSA-N 0 0 237.253 3.079 10 0 BGAERN CC1(C)COc2ccc(-c3cncc(N)c3)cc21 ZINC000305981103 323171967 /nfs/dbraw/zinc/17/19/67/323171967.db2.gz KVBJLSBCYSXKSL-UHFFFAOYSA-N 0 0 240.306 3.001 10 0 BGAERN Nc1cccc2c1CCCN2CCCCCF ZINC000306067077 132289542 /nfs/dbraw/zinc/28/95/42/132289542.db2.gz VBJVWHXQDGNXAZ-UHFFFAOYSA-N 0 0 236.334 3.161 10 0 BGAERN CCc1nc(C)cc(N[C@H](C)C2CCCC2)n1 ZINC000306072597 344990955 /nfs/dbraw/zinc/99/09/55/344990955.db2.gz XGPVNCYPWNHESP-LLVKDONJSA-N 0 0 233.359 3.338 10 0 BGAERN COc1ccc(F)c(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306116755 322939867 /nfs/dbraw/zinc/93/98/67/322939867.db2.gz WMMJSZCOPUEGNE-NDMJEZRESA-N 0 0 235.302 3.435 10 0 BGAERN COc1ccc(F)c(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000306116756 385037236 /nfs/dbraw/zinc/03/72/36/385037236.db2.gz WMMJSZCOPUEGNE-UFGOTCBOSA-N 0 0 235.302 3.435 10 0 BGAERN CC(=O)COc1ccc2ccccc2c1C ZINC000306120735 256632299 /nfs/dbraw/zinc/63/22/99/256632299.db2.gz PEQNCCSEWBHLCG-UHFFFAOYSA-N 0 0 214.264 3.116 10 0 BGAERN COc1c2ccccc2ccc1[Si](C)(C)C ZINC000306120836 174936968 /nfs/dbraw/zinc/93/69/68/174936968.db2.gz VGYKIQUJUZVSOX-UHFFFAOYSA-N 0 0 230.383 3.394 10 0 BGAERN Brc1nc(CC2CCCC2)ns1 ZINC000306149473 352984565 /nfs/dbraw/zinc/98/45/65/352984565.db2.gz ARMLPIKLEJKALF-UHFFFAOYSA-N 0 0 247.161 3.033 10 0 BGAERN CC1(c2csc(C(F)(F)F)n2)CC1 ZINC000306150210 358863129 /nfs/dbraw/zinc/86/31/29/358863129.db2.gz FKQFJGKQQJQHGN-UHFFFAOYSA-N 0 0 207.220 3.213 10 0 BGAERN CS[C@@H]1CC[C@@H]1Nc1csc(Cl)n1 ZINC000306151244 358916308 /nfs/dbraw/zinc/91/63/08/358916308.db2.gz ANWVZLYECPWNAJ-NTSWFWBYSA-N 0 0 234.777 3.102 10 0 BGAERN CS[C@@H]1CC[C@H]1Nc1csc(Cl)n1 ZINC000306151245 358916434 /nfs/dbraw/zinc/91/64/34/358916434.db2.gz ANWVZLYECPWNAJ-PHDIDXHHSA-N 0 0 234.777 3.102 10 0 BGAERN CS[C@H]1CC[C@H]1Nc1csc(Cl)n1 ZINC000306151246 358916149 /nfs/dbraw/zinc/91/61/49/358916149.db2.gz ANWVZLYECPWNAJ-RITPCOANSA-N 0 0 234.777 3.102 10 0 BGAERN CS[C@H]1CC[C@@H]1Nc1csc(Cl)n1 ZINC000306151247 358915583 /nfs/dbraw/zinc/91/55/83/358915583.db2.gz ANWVZLYECPWNAJ-WDSKDSINSA-N 0 0 234.777 3.102 10 0 BGAERN CC(F)(F)C(=O)Cc1ccc(F)cc1Cl ZINC000306153655 358922554 /nfs/dbraw/zinc/92/25/54/358922554.db2.gz BCLFKWKCTFSIOH-UHFFFAOYSA-N 0 0 236.620 3.246 10 0 BGAERN CC(C)(C)OCc1nc(Cl)cc(Cl)n1 ZINC000306153896 358923939 /nfs/dbraw/zinc/92/39/39/358923939.db2.gz BCKPSZXDGNGVPF-UHFFFAOYSA-N 0 0 235.114 3.099 10 0 BGAERN C[C@H]1CSC[C@]1(O)C1CCCCCC1 ZINC000306154762 358941361 /nfs/dbraw/zinc/94/13/61/358941361.db2.gz KFJFWNKZKBWXLZ-CMPLNLGQSA-N 0 0 214.374 3.071 10 0 BGAERN C[C@H]1CSC[C@@]1(O)C1CCCCCC1 ZINC000306154767 358941445 /nfs/dbraw/zinc/94/14/45/358941445.db2.gz KFJFWNKZKBWXLZ-JQWIXIFHSA-N 0 0 214.374 3.071 10 0 BGAERN CC(F)(F)C(=O)Cc1cc(F)ccc1Cl ZINC000306155736 371992713 /nfs/dbraw/zinc/99/27/13/371992713.db2.gz BXMOVLMLLJUPIA-UHFFFAOYSA-N 0 0 236.620 3.246 10 0 BGAERN C[C@@H]1CSC[C@@]1(O)C1CCCCCC1 ZINC000306155820 358946675 /nfs/dbraw/zinc/94/66/75/358946675.db2.gz KFJFWNKZKBWXLZ-PWSUYJOCSA-N 0 0 214.374 3.071 10 0 BGAERN C[C@@H]1CSC[C@]1(O)C1CCCCCC1 ZINC000306155825 358946626 /nfs/dbraw/zinc/94/66/26/358946626.db2.gz KFJFWNKZKBWXLZ-ZYHUDNBSSA-N 0 0 214.374 3.071 10 0 BGAERN C[C@@H]1CCC[C@H](CC(=O)C(C)(F)F)C1 ZINC000306155899 358946598 /nfs/dbraw/zinc/94/65/98/358946598.db2.gz CFKZBTCKSKXANC-BDAKNGLRSA-N 0 0 204.260 3.427 10 0 BGAERN FC(F)(Br)CNc1ccccc1 ZINC000306156437 398114122 /nfs/dbraw/zinc/11/41/22/398114122.db2.gz BRUXCLPGRRJSQS-UHFFFAOYSA-N 0 0 236.059 3.086 10 0 BGAERN C[C@H]1CCC[C@@H](CC(=O)C(C)(F)F)C1 ZINC000306156743 358946249 /nfs/dbraw/zinc/94/62/49/358946249.db2.gz CFKZBTCKSKXANC-DTWKUNHWSA-N 0 0 204.260 3.427 10 0 BGAERN C[C@H]1CCC[C@H](CC(=O)C(C)(F)F)C1 ZINC000306156744 358946027 /nfs/dbraw/zinc/94/60/27/358946027.db2.gz CFKZBTCKSKXANC-IUCAKERBSA-N 0 0 204.260 3.427 10 0 BGAERN C[C@@H]1CCC[C@@H](CC(=O)C(C)(F)F)C1 ZINC000306156745 358946022 /nfs/dbraw/zinc/94/60/22/358946022.db2.gz CFKZBTCKSKXANC-RKDXNWHRSA-N 0 0 204.260 3.427 10 0 BGAERN Cc1cc(-c2cc(C)ccc2O)sn1 ZINC000306157973 358953142 /nfs/dbraw/zinc/95/31/42/358953142.db2.gz CVLAMXKPPVFWEN-UHFFFAOYSA-N 0 0 205.282 3.133 10 0 BGAERN CCc1cc(C)sc1[C@@H](O)C(C)(F)F ZINC000306158149 358953858 /nfs/dbraw/zinc/95/38/58/358953858.db2.gz DJLYMECUBMJBMH-SECBINFHSA-N 0 0 220.284 3.308 10 0 BGAERN CCc1cc(C)sc1[C@H](O)C(C)(F)F ZINC000306158151 358953822 /nfs/dbraw/zinc/95/38/22/358953822.db2.gz DJLYMECUBMJBMH-VIFPVBQESA-N 0 0 220.284 3.308 10 0 BGAERN NN[C@H](c1ccsc1)c1ccsc1Cl ZINC000306158802 358952482 /nfs/dbraw/zinc/95/24/82/358952482.db2.gz DLLFUDPRUCPJPO-MRVPVSSYSA-N 0 0 244.772 3.016 10 0 BGAERN NN[C@@H](c1ccsc1)c1ccsc1Cl ZINC000306158805 358952555 /nfs/dbraw/zinc/95/25/55/358952555.db2.gz DLLFUDPRUCPJPO-QMMMGPOBSA-N 0 0 244.772 3.016 10 0 BGAERN Cc1ccc([C@H](N)c2ccsc2Cl)o1 ZINC000306158826 358952393 /nfs/dbraw/zinc/95/23/93/358952393.db2.gz DMMNGFSJDMPKRO-SECBINFHSA-N 0 0 227.716 3.351 10 0 BGAERN Cc1ccc([C@@H](N)c2ccsc2Cl)o1 ZINC000306158828 358952087 /nfs/dbraw/zinc/95/20/87/358952087.db2.gz DMMNGFSJDMPKRO-VIFPVBQESA-N 0 0 227.716 3.351 10 0 BGAERN CC(=O)[C@@H](C)S[C@@H]1CCCC1(C)C ZINC000306159019 358955026 /nfs/dbraw/zinc/95/50/26/358955026.db2.gz NFRLBGFOTOIPML-NXEZZACHSA-N 0 0 200.347 3.276 10 0 BGAERN CC(=O)[C@H](C)S[C@H]1CCCC1(C)C ZINC000306159031 358955576 /nfs/dbraw/zinc/95/55/76/358955576.db2.gz NFRLBGFOTOIPML-UWVGGRQHSA-N 0 0 200.347 3.276 10 0 BGAERN CC(=O)[C@H](C)S[C@@H]1CCCC1(C)C ZINC000306159039 358955566 /nfs/dbraw/zinc/95/55/66/358955566.db2.gz NFRLBGFOTOIPML-VHSXEESVSA-N 0 0 200.347 3.276 10 0 BGAERN CC(=O)[C@@H](C)S[C@H]1CCCC1(C)C ZINC000306159049 358955555 /nfs/dbraw/zinc/95/55/55/358955555.db2.gz NFRLBGFOTOIPML-ZJUUUORDSA-N 0 0 200.347 3.276 10 0 BGAERN CC(C)(F)C(=O)Cc1ccc(Cl)s1 ZINC000306160661 358966057 /nfs/dbraw/zinc/96/60/57/358966057.db2.gz QNAQZCXWCHFAJE-UHFFFAOYSA-N 0 0 220.696 3.261 10 0 BGAERN CC[C@@H](C)Oc1cccc(Br)c1N ZINC000306161325 358965955 /nfs/dbraw/zinc/96/59/55/358965955.db2.gz MVKHDZXYRZHCMI-SSDOTTSWSA-N 0 0 244.132 3.209 10 0 BGAERN CC[C@H](C)Oc1cccc(Br)c1N ZINC000306161333 358965890 /nfs/dbraw/zinc/96/58/90/358965890.db2.gz MVKHDZXYRZHCMI-ZETCQYMHSA-N 0 0 244.132 3.209 10 0 BGAERN CC[C@@](O)(c1ccsc1Cl)C1CC1 ZINC000306161740 358966711 /nfs/dbraw/zinc/96/67/11/358966711.db2.gz GNOFMUYDGKORDL-JTQLQIEISA-N 0 0 216.733 3.409 10 0 BGAERN CC[C@](O)(c1ccsc1Cl)C1CC1 ZINC000306161742 358966838 /nfs/dbraw/zinc/96/68/38/358966838.db2.gz GNOFMUYDGKORDL-SNVBAGLBSA-N 0 0 216.733 3.409 10 0 BGAERN CC[C@H](NO)c1ccc(F)c(Br)c1 ZINC000306163490 358972381 /nfs/dbraw/zinc/97/23/81/358972381.db2.gz XZVCTIGINVTBLJ-VIFPVBQESA-N 0 0 248.095 3.018 10 0 BGAERN C[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000306164353 352986139 /nfs/dbraw/zinc/98/61/39/352986139.db2.gz SPEBMGYTCBJOKE-UHFFFAOYSA-N 0 0 216.111 3.202 10 0 BGAERN C[C@H]1CC=C(C2N=NC(=S)S2)CC1 ZINC000306164528 358973258 /nfs/dbraw/zinc/97/32/58/358973258.db2.gz AFJOXORJUNNWCC-LURJTMIESA-N 0 0 212.343 3.030 10 0 BGAERN C[C@@H]1CC=C(C2N=NC(=S)S2)CC1 ZINC000306164529 358973209 /nfs/dbraw/zinc/97/32/09/358973209.db2.gz AFJOXORJUNNWCC-ZCFIWIBFSA-N 0 0 212.343 3.030 10 0 BGAERN O=C(c1ccsc1)c1sccc1F ZINC000306166261 358975371 /nfs/dbraw/zinc/97/53/71/358975371.db2.gz CQWRCBQJXGXVHS-UHFFFAOYSA-N 0 0 212.270 3.180 10 0 BGAERN CCc1cc(Cl)nnc1C1CCCC1 ZINC000306168153 358976604 /nfs/dbraw/zinc/97/66/04/358976604.db2.gz JOBUUGWDBOJDPR-UHFFFAOYSA-N 0 0 210.708 3.350 10 0 BGAERN CC(C)(C)SC[C@@H]1CCC[C@@H](O)C1 ZINC000306168306 371995103 /nfs/dbraw/zinc/99/51/03/371995103.db2.gz VYPPNFFFTLNNBO-NXEZZACHSA-N 0 0 202.363 3.069 10 0 BGAERN CC(C)(C)SC[C@H]1CCC[C@H](O)C1 ZINC000306168314 371995369 /nfs/dbraw/zinc/99/53/69/371995369.db2.gz VYPPNFFFTLNNBO-UWVGGRQHSA-N 0 0 202.363 3.069 10 0 BGAERN CC(C)(C)SC[C@H]1CCC[C@@H](O)C1 ZINC000306168323 371995024 /nfs/dbraw/zinc/99/50/24/371995024.db2.gz VYPPNFFFTLNNBO-VHSXEESVSA-N 0 0 202.363 3.069 10 0 BGAERN CC(C)(C)SC[C@@H]1CCC[C@H](O)C1 ZINC000306168335 371995041 /nfs/dbraw/zinc/99/50/41/371995041.db2.gz VYPPNFFFTLNNBO-ZJUUUORDSA-N 0 0 202.363 3.069 10 0 BGAERN CC[C@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000306168926 358978002 /nfs/dbraw/zinc/97/80/02/358978002.db2.gz JONTUXHZTCINBZ-VIFPVBQESA-N 0 0 220.099 3.423 10 0 BGAERN CC1([C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000306170105 358978731 /nfs/dbraw/zinc/97/87/31/358978731.db2.gz XIABXLHTRZVHEG-JTQLQIEISA-N 0 0 214.667 3.313 10 0 BGAERN CC1([C@H](O)c2c(F)cccc2Cl)CC1 ZINC000306170108 358978985 /nfs/dbraw/zinc/97/89/85/358978985.db2.gz XIABXLHTRZVHEG-SNVBAGLBSA-N 0 0 214.667 3.313 10 0 BGAERN O=C(c1csc(Cl)c1)c1cscn1 ZINC000306170362 358978883 /nfs/dbraw/zinc/97/88/83/358978883.db2.gz JSJCTVAXJQNFBJ-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN C[C@@H](Nc1ccc(Cl)nc1)C(F)(F)F ZINC000306170938 358980261 /nfs/dbraw/zinc/98/02/61/358980261.db2.gz LBRYVOCIHHOBNR-RXMQYKEDSA-N 0 0 224.613 3.098 10 0 BGAERN C[C@H](Nc1ccc(Cl)nc1)C(F)(F)F ZINC000306170942 358980355 /nfs/dbraw/zinc/98/03/55/358980355.db2.gz LBRYVOCIHHOBNR-YFKPBYRVSA-N 0 0 224.613 3.098 10 0 BGAERN O=Cc1ncc(-c2sccc2Cl)s1 ZINC000306171648 358981066 /nfs/dbraw/zinc/98/10/66/358981066.db2.gz ZZZBQYRLIYAETH-UHFFFAOYSA-N 0 0 229.713 3.338 10 0 BGAERN Cc1ccc([C@H](O)c2ccsc2Cl)o1 ZINC000306172763 358982734 /nfs/dbraw/zinc/98/27/34/358982734.db2.gz LPTQSOCVHGIYND-SECBINFHSA-N 0 0 228.700 3.385 10 0 BGAERN Cc1ccc([C@@H](O)c2ccsc2Cl)o1 ZINC000306172770 358982844 /nfs/dbraw/zinc/98/28/44/358982844.db2.gz LPTQSOCVHGIYND-VIFPVBQESA-N 0 0 228.700 3.385 10 0 BGAERN O=C1CC[C@@H](Cc2sccc2Cl)C1 ZINC000306173088 358980605 /nfs/dbraw/zinc/98/06/05/358980605.db2.gz UAEMDVHUHGUXHH-SSDOTTSWSA-N 0 0 214.717 3.313 10 0 BGAERN O=C1CC[C@H](Cc2sccc2Cl)C1 ZINC000306173090 358980243 /nfs/dbraw/zinc/98/02/43/358980243.db2.gz UAEMDVHUHGUXHH-ZETCQYMHSA-N 0 0 214.717 3.313 10 0 BGAERN O[C@H](c1ccoc1)c1ccsc1Cl ZINC000306175720 358983602 /nfs/dbraw/zinc/98/36/02/358983602.db2.gz NEQZHRFTANFUFC-MRVPVSSYSA-N 0 0 214.673 3.076 10 0 BGAERN O[C@@H](c1ccoc1)c1ccsc1Cl ZINC000306175724 352987700 /nfs/dbraw/zinc/98/77/00/352987700.db2.gz NEQZHRFTANFUFC-QMMMGPOBSA-N 0 0 214.673 3.076 10 0 BGAERN Cc1cnc(NC2CC(C(C)C)C2)s1 ZINC000306176379 371995596 /nfs/dbraw/zinc/99/55/96/371995596.db2.gz NSYSNVYLZWENQJ-UHFFFAOYSA-N 0 0 210.346 3.298 10 0 BGAERN Clc1cc(-c2nnc(Cl)o2)cs1 ZINC000306177148 358986763 /nfs/dbraw/zinc/98/67/63/358986763.db2.gz OFMYFENCHLQIBI-UHFFFAOYSA-N 0 0 221.068 3.105 10 0 BGAERN Cc1cc(N)c(OCc2ccccc2)cc1F ZINC000306177464 352988593 /nfs/dbraw/zinc/98/85/93/352988593.db2.gz ZXWUWOBPPDODIB-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN Nc1noc(-c2csc(Cl)c2)c1Cl ZINC000306177550 358986851 /nfs/dbraw/zinc/98/68/51/358986851.db2.gz OFEXVZLUQNQONR-UHFFFAOYSA-N 0 0 235.095 3.292 10 0 BGAERN CC1(C)CC[C@]1(O)c1ccsc1Cl ZINC000306177832 358987643 /nfs/dbraw/zinc/98/76/43/358987643.db2.gz OZLRFCNJLQWZFR-JTQLQIEISA-N 0 0 216.733 3.409 10 0 BGAERN CC1(C)CC[C@@]1(O)c1ccsc1Cl ZINC000306177833 358987982 /nfs/dbraw/zinc/98/79/82/358987982.db2.gz OZLRFCNJLQWZFR-SNVBAGLBSA-N 0 0 216.733 3.409 10 0 BGAERN Cc1ncc([C@H](O)c2ccsc2Cl)s1 ZINC000306178253 358987400 /nfs/dbraw/zinc/98/74/00/358987400.db2.gz PMOUEBDIBMORPG-MRVPVSSYSA-N 0 0 245.756 3.248 10 0 BGAERN Cc1ncc([C@@H](O)c2ccsc2Cl)s1 ZINC000306178254 358988972 /nfs/dbraw/zinc/98/89/72/358988972.db2.gz PMOUEBDIBMORPG-QMMMGPOBSA-N 0 0 245.756 3.248 10 0 BGAERN C[C@@](O)(Cc1csc(Cl)c1)C1CCC1 ZINC000306178488 358989198 /nfs/dbraw/zinc/98/91/98/358989198.db2.gz PSKUOZBFYMCYDL-LLVKDONJSA-N 0 0 230.760 3.495 10 0 BGAERN C[C@](O)(Cc1csc(Cl)c1)C1CCC1 ZINC000306178489 358989106 /nfs/dbraw/zinc/98/91/06/358989106.db2.gz PSKUOZBFYMCYDL-NSHDSACASA-N 0 0 230.760 3.495 10 0 BGAERN CC(C)(C)c1nc([C@H]2CCCO2)cs1 ZINC000306178975 358991637 /nfs/dbraw/zinc/99/16/37/358991637.db2.gz HYRGCPZVWFBRGJ-SECBINFHSA-N 0 0 211.330 3.292 10 0 BGAERN CC(C)(C)c1nc([C@@H]2CCCO2)cs1 ZINC000306178976 358991126 /nfs/dbraw/zinc/99/11/26/358991126.db2.gz HYRGCPZVWFBRGJ-VIFPVBQESA-N 0 0 211.330 3.292 10 0 BGAERN CN[C@H](c1ccc(Cl)cc1)C(C)(F)F ZINC000306179584 358992496 /nfs/dbraw/zinc/99/24/96/358992496.db2.gz INTAZNHBDKIDCF-SECBINFHSA-N 0 0 219.662 3.256 10 0 BGAERN CN[C@@H](c1ccc(Cl)cc1)C(C)(F)F ZINC000306179820 352988377 /nfs/dbraw/zinc/98/83/77/352988377.db2.gz INTAZNHBDKIDCF-VIFPVBQESA-N 0 0 219.662 3.256 10 0 BGAERN Cc1cc(-c2cc(Cl)ccc2N)sn1 ZINC000306179828 358990258 /nfs/dbraw/zinc/99/02/58/358990258.db2.gz IPQNYIUMWAZGGG-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN COc1cc(F)cc(-c2cc(Cl)on2)c1 ZINC000306179903 358990749 /nfs/dbraw/zinc/99/07/49/358990749.db2.gz IXLKQOLSPDORSD-UHFFFAOYSA-N 0 0 227.622 3.143 10 0 BGAERN CCNc1ccc(C)c(OC(F)F)c1 ZINC000306180300 358991262 /nfs/dbraw/zinc/99/12/62/358991262.db2.gz RLMJKBQSNJVHSC-UHFFFAOYSA-N 0 0 201.216 3.028 10 0 BGAERN CCc1cnc(Cl)nc1C1CCCC1 ZINC000306181597 358997683 /nfs/dbraw/zinc/99/76/83/358997683.db2.gz UZMMZKZNZTWEQS-UHFFFAOYSA-N 0 0 210.708 3.350 10 0 BGAERN Cc1ccc(Cl)c(C(=O)[C@H]2C[C@H]2C)c1 ZINC000306181627 358997930 /nfs/dbraw/zinc/99/79/30/358997930.db2.gz VAXRIKTUEDZLGM-BDAKNGLRSA-N 0 0 208.688 3.487 10 0 BGAERN Cc1ccc(Cl)c(C(=O)[C@@H]2C[C@@H]2C)c1 ZINC000306181629 358997565 /nfs/dbraw/zinc/99/75/65/358997565.db2.gz VAXRIKTUEDZLGM-DTWKUNHWSA-N 0 0 208.688 3.487 10 0 BGAERN Cc1ccc(Cl)c(C(=O)[C@H]2C[C@@H]2C)c1 ZINC000306181631 358997729 /nfs/dbraw/zinc/99/77/29/358997729.db2.gz VAXRIKTUEDZLGM-IUCAKERBSA-N 0 0 208.688 3.487 10 0 BGAERN Cc1ccc(Cl)c(C(=O)[C@@H]2C[C@H]2C)c1 ZINC000306181634 358997825 /nfs/dbraw/zinc/99/78/25/358997825.db2.gz VAXRIKTUEDZLGM-RKDXNWHRSA-N 0 0 208.688 3.487 10 0 BGAERN C[C@@]1(c2c(F)cccc2Cl)CCC(=O)C1 ZINC000306182399 358999902 /nfs/dbraw/zinc/99/99/02/358999902.db2.gz XHRLDAKFUSYBGF-GFCCVEGCSA-N 0 0 226.678 3.490 10 0 BGAERN C[C@]1(c2c(F)cccc2Cl)CCC(=O)C1 ZINC000306182400 359000044 /nfs/dbraw/zinc/00/00/44/359000044.db2.gz XHRLDAKFUSYBGF-LBPRGKRZSA-N 0 0 226.678 3.490 10 0 BGAERN COC(C)(C)C(=O)c1c(F)cccc1Cl ZINC000306182450 359000267 /nfs/dbraw/zinc/00/02/67/359000267.db2.gz XPCKNYYJHHGBHR-UHFFFAOYSA-N 0 0 230.666 3.087 10 0 BGAERN CC(F)(F)C[C@@H](O)c1ccc(Cl)cc1 ZINC000306183284 358999938 /nfs/dbraw/zinc/99/99/38/358999938.db2.gz AGGAAXUPGBKSDH-SECBINFHSA-N 0 0 220.646 3.419 10 0 BGAERN CC(F)(F)C[C@H](O)c1ccc(Cl)cc1 ZINC000306183285 359000261 /nfs/dbraw/zinc/00/02/61/359000261.db2.gz AGGAAXUPGBKSDH-VIFPVBQESA-N 0 0 220.646 3.419 10 0 BGAERN O=C1CSC(c2cc(Cl)cc(Cl)c2)=N1 ZINC000306183708 371996915 /nfs/dbraw/zinc/99/69/15/371996915.db2.gz BQVAMJKYXYKQTH-UHFFFAOYSA-N 0 0 246.118 3.013 10 0 BGAERN COCc1csc(C2(C)CCCC2)n1 ZINC000306183819 371995110 /nfs/dbraw/zinc/99/51/10/371995110.db2.gz AOGQWSZIHOQUGK-UHFFFAOYSA-N 0 0 211.330 3.121 10 0 BGAERN CC1(C(=O)c2ccsc2Cl)CC1 ZINC000306184047 359002576 /nfs/dbraw/zinc/00/25/76/359002576.db2.gz ATVLIKVUATZSIN-UHFFFAOYSA-N 0 0 200.690 3.384 10 0 BGAERN Cc1cc(C(=O)C(C)(F)F)c(C)s1 ZINC000306185244 359002755 /nfs/dbraw/zinc/00/27/55/359002755.db2.gz MPMLBLRZJXTXPY-UHFFFAOYSA-N 0 0 204.241 3.203 10 0 BGAERN Cc1cc(Cl)cn2cc(Br)nc12 ZINC000306185270 359002970 /nfs/dbraw/zinc/00/29/70/359002970.db2.gz QUTGJCBZBAUAFV-UHFFFAOYSA-N 0 0 245.507 3.059 10 0 BGAERN Cc1cc(-c2ccc(N)cc2Cl)sn1 ZINC000306188986 635958731 /nfs/dbraw/zinc/95/87/31/635958731.db2.gz CQGFCWSCAPCMNY-UHFFFAOYSA-N 0 0 224.716 3.354 10 0 BGAERN Cc1cc(C(=O)C(C)(C)F)c(C)s1 ZINC000306190113 359004487 /nfs/dbraw/zinc/00/44/87/359004487.db2.gz QBRLUYUSSQPFTA-UHFFFAOYSA-N 0 0 200.278 3.296 10 0 BGAERN CC[C@@H](NO)c1ccc(Br)cc1F ZINC000306190341 352989884 /nfs/dbraw/zinc/98/98/84/352989884.db2.gz GNRYIDZFVGIOJH-SECBINFHSA-N 0 0 248.095 3.018 10 0 BGAERN CSc1nc(Cl)nc2ccsc21 ZINC000306190893 359013980 /nfs/dbraw/zinc/01/39/80/359013980.db2.gz MEIKSDUBGVHPTC-UHFFFAOYSA-N 0 0 216.718 3.067 10 0 BGAERN CCCC(=O)c1coc(Br)c1 ZINC000306191155 359015016 /nfs/dbraw/zinc/01/50/16/359015016.db2.gz XLWYNKDGCHPJKS-UHFFFAOYSA-N 0 0 217.062 3.025 10 0 BGAERN CC1CCC(CC(=O)C(F)(F)F)CC1 ZINC000306191373 352990347 /nfs/dbraw/zinc/99/03/47/352990347.db2.gz NRHPICOZPFDGIG-UHFFFAOYSA-N 0 0 208.223 3.334 10 0 BGAERN CCc1cc(Cl)nc([C@@]2(C)CCCS2)n1 ZINC000306191458 359015456 /nfs/dbraw/zinc/01/54/56/359015456.db2.gz OUKAKKARPPIZGK-LLVKDONJSA-N 0 0 242.775 3.435 10 0 BGAERN CCc1cc(Cl)nc([C@]2(C)CCCS2)n1 ZINC000306191460 359015478 /nfs/dbraw/zinc/01/54/78/359015478.db2.gz OUKAKKARPPIZGK-NSHDSACASA-N 0 0 242.775 3.435 10 0 BGAERN F[C@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000306192575 352990367 /nfs/dbraw/zinc/99/03/67/352990367.db2.gz ZYCYUPNKRIBAOL-NTSWFWBYSA-N 0 0 220.700 3.099 10 0 BGAERN Cc1cc(-c2ccc(N)c(C)c2)sn1 ZINC000306195237 635959785 /nfs/dbraw/zinc/95/97/85/635959785.db2.gz IGBBFJPQNKILNI-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN O=C(c1ccsc1Cl)C(F)(F)Cl ZINC000306196104 359023945 /nfs/dbraw/zinc/02/39/45/359023945.db2.gz JLVDEVMYCJWSFO-UHFFFAOYSA-N 0 0 231.050 3.416 10 0 BGAERN CC[C@H](NO)c1ccc(F)cc1Br ZINC000306197124 359025420 /nfs/dbraw/zinc/02/54/20/359025420.db2.gz WWWWEKPBAJEZJC-VIFPVBQESA-N 0 0 248.095 3.018 10 0 BGAERN CC(F)(F)[C@@H](N)c1ccc(Cl)s1 ZINC000306198035 359026528 /nfs/dbraw/zinc/02/65/28/359026528.db2.gz UCPPYCCEKCANGW-LURJTMIESA-N 0 0 211.664 3.057 10 0 BGAERN CC(F)(F)[C@H](N)c1ccc(Cl)s1 ZINC000306198037 359026110 /nfs/dbraw/zinc/02/61/10/359026110.db2.gz UCPPYCCEKCANGW-ZCFIWIBFSA-N 0 0 211.664 3.057 10 0 BGAERN FC1(CNc2csc(Cl)n2)CCC1 ZINC000306198785 352991661 /nfs/dbraw/zinc/99/16/61/352991661.db2.gz YUJHXYPBRFOPLE-UHFFFAOYSA-N 0 0 220.700 3.101 10 0 BGAERN Clc1cc(Cl)c(N2CCC2)nc1Cl ZINC000306200014 359027323 /nfs/dbraw/zinc/02/73/23/359027323.db2.gz HPNPPULCCBMSDR-UHFFFAOYSA-N 0 0 237.517 3.252 10 0 BGAERN Cc1cc(-c2ccc(F)c(C=O)c2)sn1 ZINC000306200099 359027486 /nfs/dbraw/zinc/02/74/86/359027486.db2.gz JLLMCENRBAUOPV-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN CC1(CC(=O)C(F)(F)Cl)CCCC1 ZINC000306200358 352991921 /nfs/dbraw/zinc/99/19/21/352991921.db2.gz STOFLJMKFSPFOF-UHFFFAOYSA-N 0 0 210.651 3.358 10 0 BGAERN Nc1ncc(Cc2sccc2Cl)s1 ZINC000306200391 359028415 /nfs/dbraw/zinc/02/84/15/359028415.db2.gz IOPRLJNBZSBVDV-UHFFFAOYSA-N 0 0 230.745 3.031 10 0 BGAERN Nc1cc(-c2ccsn2)ccc1Cl ZINC000306200633 359289771 /nfs/dbraw/zinc/28/97/71/359289771.db2.gz JQFXDNFBDLDVMU-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN Cc1cc(C(=O)[C@@H](C)C(C)(F)F)oc1C ZINC000306200672 352992273 /nfs/dbraw/zinc/99/22/73/352992273.db2.gz JVCJHIBHXZFKJB-SSDOTTSWSA-N 0 0 216.227 3.370 10 0 BGAERN Cc1cc(C(=O)[C@H](C)C(C)(F)F)oc1C ZINC000306200673 359289754 /nfs/dbraw/zinc/28/97/54/359289754.db2.gz JVCJHIBHXZFKJB-ZETCQYMHSA-N 0 0 216.227 3.370 10 0 BGAERN Cc1ccc(C(=O)[C@@H](C)C(C)(F)F)cc1 ZINC000306201446 359291323 /nfs/dbraw/zinc/29/13/23/359291323.db2.gz KNOSPLWAXAZXQP-SECBINFHSA-N 0 0 212.239 3.469 10 0 BGAERN Cc1ccc(C(=O)[C@H](C)C(C)(F)F)cc1 ZINC000306201447 359291192 /nfs/dbraw/zinc/29/11/92/359291192.db2.gz KNOSPLWAXAZXQP-VIFPVBQESA-N 0 0 212.239 3.469 10 0 BGAERN C[C@H]1C[C@@](O)(CC2(C)CCCC2)CS1 ZINC000306202079 359292615 /nfs/dbraw/zinc/29/26/15/359292615.db2.gz LGTPPQNCDHJSRP-CMPLNLGQSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@H]1C[C@](O)(CC2(C)CCCC2)CS1 ZINC000306202080 359292593 /nfs/dbraw/zinc/29/25/93/359292593.db2.gz LGTPPQNCDHJSRP-JQWIXIFHSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@@H]1C[C@](O)(CC2(C)CCCC2)CS1 ZINC000306202081 359292359 /nfs/dbraw/zinc/29/23/59/359292359.db2.gz LGTPPQNCDHJSRP-PWSUYJOCSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@@H]1C[C@@](O)(CC2(C)CCCC2)CS1 ZINC000306202082 359292367 /nfs/dbraw/zinc/29/23/67/359292367.db2.gz LGTPPQNCDHJSRP-ZYHUDNBSSA-N 0 0 214.374 3.213 10 0 BGAERN Cc1ccc([C@@H](N)C(C)(F)F)cc1Cl ZINC000306203238 359292226 /nfs/dbraw/zinc/29/22/26/359292226.db2.gz MAGRMNVKFWJVJA-SECBINFHSA-N 0 0 219.662 3.303 10 0 BGAERN Cc1ccc([C@H](N)C(C)(F)F)cc1Cl ZINC000306203240 359292194 /nfs/dbraw/zinc/29/21/94/359292194.db2.gz MAGRMNVKFWJVJA-VIFPVBQESA-N 0 0 219.662 3.303 10 0 BGAERN CO[C@@H]1CCCC[C@H]1SC(C)(C)C ZINC000306204120 359294388 /nfs/dbraw/zinc/29/43/88/359294388.db2.gz ZCSPIRBEYRGIQX-NXEZZACHSA-N 0 0 202.363 3.476 10 0 BGAERN CO[C@H]1CCCC[C@@H]1SC(C)(C)C ZINC000306204126 359294321 /nfs/dbraw/zinc/29/43/21/359294321.db2.gz ZCSPIRBEYRGIQX-UWVGGRQHSA-N 0 0 202.363 3.476 10 0 BGAERN CO[C@H]1CCCC[C@H]1SC(C)(C)C ZINC000306204132 359294350 /nfs/dbraw/zinc/29/43/50/359294350.db2.gz ZCSPIRBEYRGIQX-VHSXEESVSA-N 0 0 202.363 3.476 10 0 BGAERN CO[C@@H]1CCCC[C@@H]1SC(C)(C)C ZINC000306204138 359294440 /nfs/dbraw/zinc/29/44/40/359294440.db2.gz ZCSPIRBEYRGIQX-ZJUUUORDSA-N 0 0 202.363 3.476 10 0 BGAERN COc1ccc(-c2ccccc2N)s1 ZINC000306204771 359293279 /nfs/dbraw/zinc/29/32/79/359293279.db2.gz NWZCWYNKJFHZKZ-UHFFFAOYSA-N 0 0 205.282 3.006 10 0 BGAERN Cc1cc([C@@H](O)c2sccc2Cl)sn1 ZINC000306204847 359293738 /nfs/dbraw/zinc/29/37/38/359293738.db2.gz OEDQFOPPIXMIGM-MRVPVSSYSA-N 0 0 245.756 3.248 10 0 BGAERN Cc1cc([C@H](O)c2sccc2Cl)sn1 ZINC000306204850 359293620 /nfs/dbraw/zinc/29/36/20/359293620.db2.gz OEDQFOPPIXMIGM-QMMMGPOBSA-N 0 0 245.756 3.248 10 0 BGAERN Cc1cc(N(C)Cc2ccccc2)c(F)cc1N ZINC000306204969 359293632 /nfs/dbraw/zinc/29/36/32/359293632.db2.gz QVFQHGHLTAPAKH-UHFFFAOYSA-N 0 0 244.313 3.353 10 0 BGAERN CC(F)(F)C(=O)c1ccsc1Cl ZINC000306205794 372000193 /nfs/dbraw/zinc/00/01/93/372000193.db2.gz OZUHPTHBIVCHMH-UHFFFAOYSA-N 0 0 210.632 3.239 10 0 BGAERN CC(C)(C)C(C)(C)[C@H](O)c1ccsn1 ZINC000306207104 359298243 /nfs/dbraw/zinc/29/82/43/359298243.db2.gz QMLZEAYXQLAZOG-SECBINFHSA-N 0 0 213.346 3.249 10 0 BGAERN CC(C)(C)C(C)(C)[C@@H](O)c1ccsn1 ZINC000306207105 359298390 /nfs/dbraw/zinc/29/83/90/359298390.db2.gz QMLZEAYXQLAZOG-VIFPVBQESA-N 0 0 213.346 3.249 10 0 BGAERN COc1cc(SC(C)C)c(N)cc1C ZINC000306207752 359299797 /nfs/dbraw/zinc/29/97/97/359299797.db2.gz RBQLLWZOZZGTPD-UHFFFAOYSA-N 0 0 211.330 3.086 10 0 BGAERN CC[C@H]1CC[C@H](c2csc(N)n2)CC1 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/nfs/dbraw/zinc/30/24/32/359302432.db2.gz IOVWJKPAGMIDFK-CABZTGNLSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1ccc(Cl)c([C@@H]2CCC[C@H]2O)c1 ZINC000306209823 359302640 /nfs/dbraw/zinc/30/26/40/359302640.db2.gz IOVWJKPAGMIDFK-JOYOIKCWSA-N 0 0 210.704 3.277 10 0 BGAERN Cc1ccc(Cl)c([C@H]2CCC[C@@H]2O)c1 ZINC000306209824 359302276 /nfs/dbraw/zinc/30/22/76/359302276.db2.gz IOVWJKPAGMIDFK-SKDRFNHKSA-N 0 0 210.704 3.277 10 0 BGAERN C[C@H](c1occc1Br)N(C)C1CC1 ZINC000306210930 359304568 /nfs/dbraw/zinc/30/45/68/359304568.db2.gz GXJDKWYHSBRJCG-SSDOTTSWSA-N 0 0 244.132 3.197 10 0 BGAERN C[C@@H](c1occc1Br)N(C)C1CC1 ZINC000306210931 359304721 /nfs/dbraw/zinc/30/47/21/359304721.db2.gz GXJDKWYHSBRJCG-ZETCQYMHSA-N 0 0 244.132 3.197 10 0 BGAERN CC1(C)CCN(c2csc(Cl)n2)C1 ZINC000306211108 359305184 /nfs/dbraw/zinc/30/51/84/359305184.db2.gz CKWQNQCPNAVGSS-UHFFFAOYSA-N 0 0 216.737 3.033 10 0 BGAERN Cc1cc(-c2cc(Cl)ccc2O)sn1 ZINC000306211232 359305127 /nfs/dbraw/zinc/30/51/27/359305127.db2.gz 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/nfs/dbraw/zinc/81/62/43/359816243.db2.gz UKFUVIUWMUBKDG-SNVBAGLBSA-N 0 0 202.656 3.097 10 0 BGAERN Fc1cc(Br)cc(NCC2CC2)c1 ZINC000306416858 359825875 /nfs/dbraw/zinc/82/58/75/359825875.db2.gz SDDOHOMTZSOCGK-UHFFFAOYSA-N 0 0 244.107 3.410 10 0 BGAERN C[C@@H]1CN[C@@H](c2ccsc2Cl)SC1 ZINC000306418118 359826186 /nfs/dbraw/zinc/82/61/86/359826186.db2.gz ZOXQESHOTFPYDT-HZGVNTEJSA-N 0 0 233.789 3.373 10 0 BGAERN C[C@H]1CN[C@@H](c2ccsc2Cl)SC1 ZINC000306418119 359826269 /nfs/dbraw/zinc/82/62/69/359826269.db2.gz ZOXQESHOTFPYDT-IMTBSYHQSA-N 0 0 233.789 3.373 10 0 BGAERN C[C@@H]1CN[C@H](c2ccsc2Cl)SC1 ZINC000306418120 359825960 /nfs/dbraw/zinc/82/59/60/359825960.db2.gz ZOXQESHOTFPYDT-MUWHJKNJSA-N 0 0 233.789 3.373 10 0 BGAERN C[C@H]1CN[C@H](c2ccsc2Cl)SC1 ZINC000306418121 359825854 /nfs/dbraw/zinc/82/58/54/359825854.db2.gz ZOXQESHOTFPYDT-RCOVLWMOSA-N 0 0 233.789 3.373 10 0 BGAERN Clc1nsc(Sc2ccccc2)n1 ZINC000306418597 359828870 /nfs/dbraw/zinc/82/88/70/359828870.db2.gz UIYMYABNZAGUGE-UHFFFAOYSA-N 0 0 228.729 3.343 10 0 BGAERN C[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000306421211 359865976 /nfs/dbraw/zinc/86/59/76/359865976.db2.gz GTUFWYDFXITFHF-GWCFXTLKSA-N 0 0 227.348 3.480 10 0 BGAERN C[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000306421212 359865702 /nfs/dbraw/zinc/86/57/02/359865702.db2.gz GTUFWYDFXITFHF-GXFFZTMASA-N 0 0 227.348 3.480 10 0 BGAERN C[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC000306421213 359865883 /nfs/dbraw/zinc/86/58/83/359865883.db2.gz GTUFWYDFXITFHF-MFKMUULPSA-N 0 0 227.348 3.480 10 0 BGAERN C[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC000306421214 359866006 /nfs/dbraw/zinc/86/60/06/359866006.db2.gz GTUFWYDFXITFHF-ZWNOBZJWSA-N 0 0 227.348 3.480 10 0 BGAERN C[C@H]1CC[C@H]1Nc1ncc(Br)s1 ZINC000306422296 359862872 /nfs/dbraw/zinc/86/28/72/359862872.db2.gz AOQFCCGBWVYSAB-NTSWFWBYSA-N 0 0 247.161 3.116 10 0 BGAERN C[C@@H]1CC[C@H]1Nc1ncc(Br)s1 ZINC000306422299 359862788 /nfs/dbraw/zinc/86/27/88/359862788.db2.gz AOQFCCGBWVYSAB-PHDIDXHHSA-N 0 0 247.161 3.116 10 0 BGAERN C[C@@H]1CC[C@@H]1Nc1ncc(Br)s1 ZINC000306422302 359862130 /nfs/dbraw/zinc/86/21/30/359862130.db2.gz AOQFCCGBWVYSAB-RITPCOANSA-N 0 0 247.161 3.116 10 0 BGAERN C[C@H]1CC[C@@H]1Nc1ncc(Br)s1 ZINC000306422305 359862573 /nfs/dbraw/zinc/86/25/73/359862573.db2.gz AOQFCCGBWVYSAB-WDSKDSINSA-N 0 0 247.161 3.116 10 0 BGAERN CSc1ccc(C(F)(F)F)c(Cl)n1 ZINC000306423426 388097257 /nfs/dbraw/zinc/09/72/57/388097257.db2.gz BLAOHCVTGREECD-UHFFFAOYSA-N 0 0 227.638 3.476 10 0 BGAERN Cc1cc(-c2ccc(O)cc2C)sn1 ZINC000306424172 642744229 /nfs/dbraw/zinc/74/42/29/642744229.db2.gz BRJZQCWTZSZBTL-UHFFFAOYSA-N 0 0 205.282 3.133 10 0 BGAERN CCC1CC(Nc2ccc(Cl)nc2)C1 ZINC000306425599 359872184 /nfs/dbraw/zinc/87/21/84/359872184.db2.gz HGDVMOLZUNSXOB-UHFFFAOYSA-N 0 0 210.708 3.336 10 0 BGAERN Cc1nc(Br)oc1CC(C)(C)C ZINC000306427333 359878237 /nfs/dbraw/zinc/87/82/37/359878237.db2.gz ZAIOZOZEVBKZPF-UHFFFAOYSA-N 0 0 232.121 3.334 10 0 BGAERN Fc1ccc(Cl)c([C@@H]2CO2)c1Cl ZINC000306429809 359883824 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Nc1ccc(-c2ccns2)cc1Cl ZINC000306579873 372039206 /nfs/dbraw/zinc/03/92/06/372039206.db2.gz NIIFDFDSSIRVKI-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN CC(C)[C@@]1(C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000306580283 360470525 /nfs/dbraw/zinc/47/05/25/360470525.db2.gz OGXLCPOZUZEKCR-DZGCQCFKSA-N 0 0 247.338 3.347 10 0 BGAERN CC(C)[C@]1(C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000306580284 360470596 /nfs/dbraw/zinc/47/05/96/360470596.db2.gz OGXLCPOZUZEKCR-HIFRSBDPSA-N 0 0 247.338 3.347 10 0 BGAERN CC(C)[C@@]1(C)C[C@H]1NC(=O)OCc1ccccc1 ZINC000306580285 360470615 /nfs/dbraw/zinc/47/06/15/360470615.db2.gz OGXLCPOZUZEKCR-UKRRQHHQSA-N 0 0 247.338 3.347 10 0 BGAERN CC(C)[C@]1(C)C[C@@H]1NC(=O)OCc1ccccc1 ZINC000306580286 360470760 /nfs/dbraw/zinc/47/07/60/360470760.db2.gz OGXLCPOZUZEKCR-ZFWWWQNUSA-N 0 0 247.338 3.347 10 0 BGAERN Cc1c[nH]c(=S)n1[C@H]1C[C@]1(C)C(C)C ZINC000306581353 360478977 /nfs/dbraw/zinc/47/89/77/360478977.db2.gz PNFWNJCEDGRUIE-GXSJLCMTSA-N 0 0 210.346 3.087 10 0 BGAERN Cc1c[nH]c(=S)n1[C@@H]1C[C@@]1(C)C(C)C ZINC000306581354 360479001 /nfs/dbraw/zinc/47/90/01/360479001.db2.gz PNFWNJCEDGRUIE-KOLCDFICSA-N 0 0 210.346 3.087 10 0 BGAERN Cc1c[nH]c(=S)n1[C@@H]1C[C@]1(C)C(C)C ZINC000306581355 360478625 /nfs/dbraw/zinc/47/86/25/360478625.db2.gz PNFWNJCEDGRUIE-MWLCHTKSSA-N 0 0 210.346 3.087 10 0 BGAERN Cc1c[nH]c(=S)n1[C@H]1C[C@@]1(C)C(C)C ZINC000306581356 360478491 /nfs/dbraw/zinc/47/84/91/360478491.db2.gz PNFWNJCEDGRUIE-ONGXEEELSA-N 0 0 210.346 3.087 10 0 BGAERN O=C(c1ccns1)C1CCCCCC1 ZINC000306581819 360480225 /nfs/dbraw/zinc/48/02/25/360480225.db2.gz PZOUMNLCKPOZHG-UHFFFAOYSA-N 0 0 209.314 3.296 10 0 BGAERN Cc1cc(C)c(C(=O)CC2CCC2)cn1 ZINC000306581821 360479821 /nfs/dbraw/zinc/47/98/21/360479821.db2.gz PZSURGJNTDVLNT-UHFFFAOYSA-N 0 0 203.285 3.071 10 0 BGAERN C[C@@H]1CCC[C@H](Oc2cnc(Cl)cn2)C1 ZINC000306581917 360480262 /nfs/dbraw/zinc/48/02/62/360480262.db2.gz OWVWINGCJRDLNU-BDAKNGLRSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@H]1CCC[C@@H](Oc2cnc(Cl)cn2)C1 ZINC000306581920 360479708 /nfs/dbraw/zinc/47/97/08/360479708.db2.gz OWVWINGCJRDLNU-DTWKUNHWSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@H]1CCC[C@H](Oc2cnc(Cl)cn2)C1 ZINC000306581921 360480011 /nfs/dbraw/zinc/48/00/11/360480011.db2.gz OWVWINGCJRDLNU-IUCAKERBSA-N 0 0 226.707 3.088 10 0 BGAERN C[C@@H]1CCC[C@@H](Oc2cnc(Cl)cn2)C1 ZINC000306581922 360480309 /nfs/dbraw/zinc/48/03/09/360480309.db2.gz OWVWINGCJRDLNU-RKDXNWHRSA-N 0 0 226.707 3.088 10 0 BGAERN Cc1coc(SCc2cccs2)n1 ZINC000306582231 360481502 /nfs/dbraw/zinc/48/15/02/360481502.db2.gz CCLLEMADSJURJU-UHFFFAOYSA-N 0 0 211.311 3.337 10 0 BGAERN Cc1csc(-c2nnc(Cl)s2)c1 ZINC000306582619 360483430 /nfs/dbraw/zinc/48/34/30/360483430.db2.gz CNGJHZJKOVSLJI-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN O=C1CCO[C@H](CCC2CCCCC2)C1 ZINC000306582941 360482044 /nfs/dbraw/zinc/48/20/44/360482044.db2.gz QQVIRZSWRNOERO-CYBMUJFWSA-N 0 0 210.317 3.095 10 0 BGAERN O=C1CCO[C@@H](CCC2CCCCC2)C1 ZINC000306582942 360482641 /nfs/dbraw/zinc/48/26/41/360482641.db2.gz 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ZINC000306585414 360485108 /nfs/dbraw/zinc/48/51/08/360485108.db2.gz HNFAEPDKZAMFDI-UHFFFAOYSA-N 0 0 225.723 3.101 10 0 BGAERN Cc1ccsc1[C@](C)(O)[C@@H]1CC1(C)C ZINC000306585991 360485453 /nfs/dbraw/zinc/48/54/53/360485453.db2.gz SXHMUVJNVPAFKM-BXKDBHETSA-N 0 0 210.342 3.310 10 0 BGAERN Cc1ccsc1[C@@](C)(O)[C@H]1CC1(C)C ZINC000306585994 360485120 /nfs/dbraw/zinc/48/51/20/360485120.db2.gz SXHMUVJNVPAFKM-CABZTGNLSA-N 0 0 210.342 3.310 10 0 BGAERN Cc1ccsc1[C@](C)(O)[C@H]1CC1(C)C ZINC000306585996 360485363 /nfs/dbraw/zinc/48/53/63/360485363.db2.gz SXHMUVJNVPAFKM-JOYOIKCWSA-N 0 0 210.342 3.310 10 0 BGAERN Cc1ccsc1[C@@](C)(O)[C@@H]1CC1(C)C ZINC000306585998 360485827 /nfs/dbraw/zinc/48/58/27/360485827.db2.gz SXHMUVJNVPAFKM-SKDRFNHKSA-N 0 0 210.342 3.310 10 0 BGAERN CC1CCC(Nc2cnc(Cl)cn2)CC1 ZINC000306586332 360484917 /nfs/dbraw/zinc/48/49/17/360484917.db2.gz RGAVPWRSTBHQHK-UHFFFAOYSA-N 0 0 225.723 3.121 10 0 BGAERN CCC(=O)c1cccc(-c2ccns2)c1 ZINC000306588089 360491980 /nfs/dbraw/zinc/49/19/80/360491980.db2.gz VIVRDEWAKDTAJO-UHFFFAOYSA-N 0 0 217.293 3.403 10 0 BGAERN O=C(c1ccns1)[C@H]1CC2CCC1CC2 ZINC000306588130 360492217 /nfs/dbraw/zinc/49/22/17/360492217.db2.gz VLFLSCZJXZYBCM-RTBKNWGFSA-N 0 0 221.325 3.152 10 0 BGAERN O=C(c1ccns1)[C@@H]1CC2CCC1CC2 ZINC000306588131 360492572 /nfs/dbraw/zinc/49/25/72/360492572.db2.gz VLFLSCZJXZYBCM-UDNWOFFPSA-N 0 0 221.325 3.152 10 0 BGAERN CC1(C)C(C(=O)c2ccns2)C1(C)C ZINC000306588929 360494251 /nfs/dbraw/zinc/49/42/51/360494251.db2.gz WFNXOTLDDDXUQA-UHFFFAOYSA-N 0 0 209.314 3.008 10 0 BGAERN CC(C)[C@H](C)Nc1ncc(Cl)s1 ZINC000306589049 360494613 /nfs/dbraw/zinc/49/46/13/360494613.db2.gz OBBDBJHJPCITTR-LURJTMIESA-N 0 0 204.726 3.253 10 0 BGAERN CSc1cc(F)c(OC(F)F)c(F)c1 ZINC000306589157 360494645 /nfs/dbraw/zinc/49/46/45/360494645.db2.gz WRUFJOOGSCSMJT-UHFFFAOYSA-N 0 0 226.194 3.288 10 0 BGAERN CC(C)[C@@H](C)Nc1ncc(Cl)s1 ZINC000306589233 360494161 /nfs/dbraw/zinc/49/41/61/360494161.db2.gz OBBDBJHJPCITTR-ZCFIWIBFSA-N 0 0 204.726 3.253 10 0 BGAERN CCc1nnc(Cl)n1[C@H](C)[C@H]1CC1(C)C ZINC000306589497 360494204 /nfs/dbraw/zinc/49/42/04/360494204.db2.gz XCBAVNSKXXQYIO-HTQZYQBOSA-N 0 0 227.739 3.101 10 0 BGAERN CCc1nnc(Cl)n1[C@@H](C)[C@H]1CC1(C)C ZINC000306589498 360494168 /nfs/dbraw/zinc/49/41/68/360494168.db2.gz XCBAVNSKXXQYIO-JGVFFNPUSA-N 0 0 227.739 3.101 10 0 BGAERN CCc1nnc(Cl)n1[C@H](C)[C@@H]1CC1(C)C ZINC000306589499 360494657 /nfs/dbraw/zinc/49/46/57/360494657.db2.gz XCBAVNSKXXQYIO-SFYZADRCSA-N 0 0 227.739 3.101 10 0 BGAERN CCc1nnc(Cl)n1[C@@H](C)[C@@H]1CC1(C)C ZINC000306589500 360494700 /nfs/dbraw/zinc/49/47/00/360494700.db2.gz XCBAVNSKXXQYIO-YUMQZZPRSA-N 0 0 227.739 3.101 10 0 BGAERN Cc1cc(N)cc(Cl)c1C(F)(F)F ZINC000306589516 360494565 /nfs/dbraw/zinc/49/45/65/360494565.db2.gz XDEVZJRLMSHGEN-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN CSc1cc(OC(F)F)c(F)cc1F ZINC000306589523 360494605 /nfs/dbraw/zinc/49/46/05/360494605.db2.gz XDPXCPQFWFYRPG-UHFFFAOYSA-N 0 0 226.194 3.288 10 0 BGAERN CCN(CC)c1nccc2ccsc21 ZINC000306590889 360510244 /nfs/dbraw/zinc/51/02/44/360510244.db2.gz YHPWDCCHWHXWET-UHFFFAOYSA-N 0 0 206.314 3.143 10 0 BGAERN CC1(C)CCC(CC2(O)CSC2)CC1 ZINC000306591357 353027901 /nfs/dbraw/zinc/02/79/01/353027901.db2.gz VMOVPAWPIDANBD-UHFFFAOYSA-N 0 0 214.374 3.071 10 0 BGAERN C[C@H](NOCc1ccccc1)[C@@H]1CC1(C)C ZINC000306592652 360511215 /nfs/dbraw/zinc/51/12/15/360511215.db2.gz ZZMLHLMEXGLXCG-AAEUAGOBSA-N 0 0 219.328 3.142 10 0 BGAERN C[C@@H](NOCc1ccccc1)[C@H]1CC1(C)C ZINC000306592653 360511127 /nfs/dbraw/zinc/51/11/27/360511127.db2.gz ZZMLHLMEXGLXCG-DGCLKSJQSA-N 0 0 219.328 3.142 10 0 BGAERN C[C@H](NOCc1ccccc1)[C@H]1CC1(C)C ZINC000306592654 360511317 /nfs/dbraw/zinc/51/13/17/360511317.db2.gz ZZMLHLMEXGLXCG-WCQYABFASA-N 0 0 219.328 3.142 10 0 BGAERN C[C@@H](NOCc1ccccc1)[C@@H]1CC1(C)C ZINC000306592655 360511285 /nfs/dbraw/zinc/51/12/85/360511285.db2.gz ZZMLHLMEXGLXCG-YPMHNXCESA-N 0 0 219.328 3.142 10 0 BGAERN CCC1(Nc2cccc(Cl)c2N)CC1 ZINC000306592988 360513781 /nfs/dbraw/zinc/51/37/81/360513781.db2.gz IOZVNPVRVRLHEE-UHFFFAOYSA-N 0 0 210.708 3.277 10 0 BGAERN Cc1ccc(C(=O)c2ccsc2Cl)nc1 ZINC000306593320 360514016 /nfs/dbraw/zinc/51/40/16/360514016.db2.gz WXVVTALAXITPRN-UHFFFAOYSA-N 0 0 237.711 3.336 10 0 BGAERN O=C(NCC1=CCCCC1)OCc1ccccc1 ZINC000306594974 372041718 /nfs/dbraw/zinc/04/17/18/372041718.db2.gz KIMMADBWOCIKMP-UHFFFAOYSA-N 0 0 245.322 3.413 10 0 BGAERN CC(C)=C[C@@H]([NH3+])c1cc(F)ccc1Cl ZINC000306595405 372041966 /nfs/dbraw/zinc/04/19/66/372041966.db2.gz KZGSUNXBMCGOHI-LLVKDONJSA-N 0 0 213.683 3.445 10 0 BGAERN CC(C)=C[C@H]([NH3+])c1cc(F)ccc1Cl ZINC000306595406 372041480 /nfs/dbraw/zinc/04/14/80/372041480.db2.gz KZGSUNXBMCGOHI-NSHDSACASA-N 0 0 213.683 3.445 10 0 BGAERN CCc1cnc(CNc2ccsc2)s1 ZINC000306595651 360516073 /nfs/dbraw/zinc/51/60/73/360516073.db2.gz LEUWYYOKTAVZRD-UHFFFAOYSA-N 0 0 224.354 3.379 10 0 BGAERN CCc1c(Cl)ncnc1NC1(CC)CC1 ZINC000306595700 360515920 /nfs/dbraw/zinc/51/59/20/360515920.db2.gz LLAHXKJDMORCNA-UHFFFAOYSA-N 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Clc1nc(N[C@H]2CCCSC2)cs1 ZINC000306846911 386033132 /nfs/dbraw/zinc/03/31/32/386033132.db2.gz KNWSWRULWQBZAQ-LURJTMIESA-N 0 0 234.777 3.104 10 0 BGAERN Clc1nc(N[C@@H]2CCCSC2)cs1 ZINC000306846912 386032734 /nfs/dbraw/zinc/03/27/34/386032734.db2.gz KNWSWRULWQBZAQ-ZCFIWIBFSA-N 0 0 234.777 3.104 10 0 BGAERN Fc1cncc(C(F)(F)F)c1Br ZINC000306848278 353042459 /nfs/dbraw/zinc/04/24/59/353042459.db2.gz LHXPYPFDPLCJSM-UHFFFAOYSA-N 0 0 243.985 3.002 10 0 BGAERN [O-]c1ccc(C(F)F)c(F)c1Br ZINC000306848534 398219521 /nfs/dbraw/zinc/21/95/21/398219521.db2.gz LQZOWBQBQWODMI-UHFFFAOYSA-N 0 0 241.006 3.231 10 0 BGAERN C[C@H](Nc1ccsc1Cl)C(F)F ZINC000306849733 351159297 /nfs/dbraw/zinc/15/92/97/351159297.db2.gz OGNDPUZBJJEDGM-BYPYZUCNSA-N 0 0 211.664 3.467 10 0 BGAERN C[C@@H](Nc1ccsc1Cl)C(F)F ZINC000306849734 351159187 /nfs/dbraw/zinc/15/91/87/351159187.db2.gz OGNDPUZBJJEDGM-SCSAIBSYSA-N 0 0 211.664 3.467 10 0 BGAERN OC1(CCNc2ccsc2Cl)CCC1 ZINC000306854376 351179068 /nfs/dbraw/zinc/17/90/68/351179068.db2.gz VEAKPURGYNWYKG-UHFFFAOYSA-N 0 0 231.748 3.119 10 0 BGAERN Cc1cc(N)c(OC(F)(F)F)c(Cl)c1 ZINC000306854785 351180439 /nfs/dbraw/zinc/18/04/39/351180439.db2.gz AWCJZGUHVQVGDL-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN Cc1nc(-c2ccc(N)cc2C)cs1 ZINC000306858758 351181025 /nfs/dbraw/zinc/18/10/25/351181025.db2.gz ZXNBYVGUUPMMOR-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Fc1ccsc1-c1nnc(Cl)s1 ZINC000306859608 351203901 /nfs/dbraw/zinc/20/39/01/351203901.db2.gz BUFIFINCPJEYFD-UHFFFAOYSA-N 0 0 220.681 3.059 10 0 BGAERN O=C1CSC(c2cccc(Cl)c2)=N1 ZINC000306866862 351251638 /nfs/dbraw/zinc/25/16/38/351251638.db2.gz OQVCMEKZEKDBGL-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN CC(C)C[C@H]1CCCN1c1nsnc1Cl ZINC000306867007 397924343 /nfs/dbraw/zinc/92/43/43/397924343.db2.gz OYBDBKMNMMUJSV-MRVPVSSYSA-N 0 0 245.779 3.206 10 0 BGAERN CC(C)C[C@@H]1CCCN1c1nsnc1Cl ZINC000306867008 397923831 /nfs/dbraw/zinc/92/38/31/397923831.db2.gz OYBDBKMNMMUJSV-QMMMGPOBSA-N 0 0 245.779 3.206 10 0 BGAERN Nc1ccc(-c2ccns2)c(Cl)c1 ZINC000306869724 351258339 /nfs/dbraw/zinc/25/83/39/351258339.db2.gz TXJWOKWEZBSTRU-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN CC(F)(F)[C@@H](N)c1sccc1Cl ZINC000306873372 397932212 /nfs/dbraw/zinc/93/22/12/397932212.db2.gz XJIYSLKNVVIGKZ-LURJTMIESA-N 0 0 211.664 3.057 10 0 BGAERN CC(F)(F)[C@H](N)c1sccc1Cl ZINC000306873373 397931469 /nfs/dbraw/zinc/93/14/69/397931469.db2.gz XJIYSLKNVVIGKZ-ZCFIWIBFSA-N 0 0 211.664 3.057 10 0 BGAERN COc1cc(Br)cc2scnc21 ZINC000306875004 351268908 /nfs/dbraw/zinc/26/89/08/351268908.db2.gz FPICIXDVYIAAMT-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN O=C(c1c(Cl)ccc(F)c1F)C1CC1 ZINC000306878004 351271462 /nfs/dbraw/zinc/27/14/62/351271462.db2.gz CQCCPRAFCMEKBR-UHFFFAOYSA-N 0 0 216.614 3.211 10 0 BGAERN O=C(c1ccc2sccc2c1)C1CC1 ZINC000306879283 351272698 /nfs/dbraw/zinc/27/26/98/351272698.db2.gz JKOHAGJYJDDNKI-UHFFFAOYSA-N 0 0 202.278 3.494 10 0 BGAERN CC[C@@H](C)c1nn(Cc2ccccc2)cc1N ZINC000306880943 372075223 /nfs/dbraw/zinc/07/52/23/372075223.db2.gz GTTJLVSDUWXDCK-LLVKDONJSA-N 0 0 229.327 3.027 10 0 BGAERN CC[C@H](C)c1nn(Cc2ccccc2)cc1N ZINC000306880944 372074629 /nfs/dbraw/zinc/07/46/29/372074629.db2.gz GTTJLVSDUWXDCK-NSHDSACASA-N 0 0 229.327 3.027 10 0 BGAERN O[C@@H](c1ccc2sccc2c1)C1CC1 ZINC000306886853 398203047 /nfs/dbraw/zinc/20/30/47/398203047.db2.gz TVHDPMCABKSESV-GFCCVEGCSA-N 0 0 204.294 3.345 10 0 BGAERN O[C@H](c1ccc2sccc2c1)C1CC1 ZINC000306886854 351295286 /nfs/dbraw/zinc/29/52/86/351295286.db2.gz TVHDPMCABKSESV-LBPRGKRZSA-N 0 0 204.294 3.345 10 0 BGAERN CC1(C)C[C@@H]1c1csc(Br)n1 ZINC000306888130 386478100 /nfs/dbraw/zinc/47/81/00/386478100.db2.gz RNPCIPKZGVQQHT-RXMQYKEDSA-N 0 0 232.146 3.419 10 0 BGAERN CC1(C)C[C@H]1c1csc(Br)n1 ZINC000306888131 386479841 /nfs/dbraw/zinc/47/98/41/386479841.db2.gz RNPCIPKZGVQQHT-YFKPBYRVSA-N 0 0 232.146 3.419 10 0 BGAERN Cc1c(N)cc(OCc2ccccc2)cc1F ZINC000306890108 229398337 /nfs/dbraw/zinc/39/83/37/229398337.db2.gz YKMAVFAFWFMNQO-UHFFFAOYSA-N 0 0 231.270 3.295 10 0 BGAERN CCOc1cc(F)c(F)c(C(F)F)c1 ZINC000306893815 397945311 /nfs/dbraw/zinc/94/53/11/397945311.db2.gz JZFHVDFBOWDEKY-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN CC(=O)c1c(F)cc(C(F)F)cc1F ZINC000306894119 397945349 /nfs/dbraw/zinc/94/53/49/397945349.db2.gz JGIYEWIJZZCYLJ-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN Oc1cc(C(F)F)c(F)cc1Br ZINC000306895236 351307371 /nfs/dbraw/zinc/30/73/71/351307371.db2.gz MCJAPONGXWXRKH-UHFFFAOYSA-N 0 0 241.006 3.231 10 0 BGAERN CC(=O)c1c(F)cc(F)cc1C(F)F ZINC000306896152 351308123 /nfs/dbraw/zinc/30/81/23/351308123.db2.gz OVSSJSQLOYWUNW-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN CCOc1cc(C(F)F)cc(F)c1F ZINC000306899483 397948314 /nfs/dbraw/zinc/94/83/14/397948314.db2.gz JQSVQXIZIVSEFC-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN Nc1c(F)c(C(F)(F)F)ccc1Cl ZINC000306899519 351310924 /nfs/dbraw/zinc/31/09/24/351310924.db2.gz JWKGJXJCSBEXJM-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN Cc1cc(-c2cccc(F)c2C=O)sn1 ZINC000306903564 537919759 /nfs/dbraw/zinc/91/97/59/537919759.db2.gz SMKORBNVVRNOOC-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN CC(C)(C)C(C)(C)Nc1nccnc1Cl ZINC000306904169 351320579 /nfs/dbraw/zinc/32/05/79/351320579.db2.gz TXTVLYVIBXNWJX-UHFFFAOYSA-N 0 0 227.739 3.367 10 0 BGAERN Cc1cc(F)cc(C)c1OC(F)(F)F ZINC000306904541 351320939 /nfs/dbraw/zinc/32/09/39/351320939.db2.gz KAJPJQXZIAWMAQ-UHFFFAOYSA-N 0 0 208.154 3.341 10 0 BGAERN CSC(C)(C)[C@H](O)c1ccccc1C ZINC000306905469 351320000 /nfs/dbraw/zinc/32/00/00/351320000.db2.gz XHDLLYOGKDAFEL-LLVKDONJSA-N 0 0 210.342 3.170 10 0 BGAERN CSC(C)(C)[C@@H](O)c1ccccc1C ZINC000306905470 351320097 /nfs/dbraw/zinc/32/00/97/351320097.db2.gz XHDLLYOGKDAFEL-NSHDSACASA-N 0 0 210.342 3.170 10 0 BGAERN CSc1cc(F)c(F)c(OC(F)F)c1 ZINC000306905476 351319917 /nfs/dbraw/zinc/31/99/17/351319917.db2.gz XIGLWIWCWNPDJJ-UHFFFAOYSA-N 0 0 226.194 3.288 10 0 BGAERN Cc1ccc(N)c(Cl)c1OC(F)(F)F ZINC000306905484 351319865 /nfs/dbraw/zinc/31/98/65/351319865.db2.gz XJDAWKGFXKNGGV-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN CC(=O)c1cc(F)cc(F)c1C(F)F ZINC000306906518 351320959 /nfs/dbraw/zinc/32/09/59/351320959.db2.gz ZNFGYHXKAMCGAL-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN Cc1cc(-c2ccc(C=O)c(F)c2)sn1 ZINC000306907638 537919800 /nfs/dbraw/zinc/91/98/00/537919800.db2.gz DZOUDBJDCSLKSU-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN Cc1cc(-c2cc(N)ccc2C)sn1 ZINC000306908091 643278337 /nfs/dbraw/zinc/27/83/37/643278337.db2.gz FPSAZNHJVMIUQZ-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CC(=O)c1ccc(F)c(C(F)F)c1F ZINC000306909076 351321946 /nfs/dbraw/zinc/32/19/46/351321946.db2.gz GFENSONXJMERFT-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN CCc1ccc(F)c(F)c1OC(F)F ZINC000306909904 351324258 /nfs/dbraw/zinc/32/42/58/351324258.db2.gz HWDZRHWAQAIAIL-UHFFFAOYSA-N 0 0 208.154 3.129 10 0 BGAERN Cc1ccc(F)c(Cl)c1OC(F)F ZINC000306910289 351322696 /nfs/dbraw/zinc/32/26/96/351322696.db2.gz IGNUCYARJZUFIB-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN CSc1cc(F)ccc1OC(F)(F)F ZINC000306911595 351324041 /nfs/dbraw/zinc/32/40/41/351324041.db2.gz LAHIKEGCBHVUEF-UHFFFAOYSA-N 0 0 226.194 3.446 10 0 BGAERN CC(F)(F)C(=O)Cc1ccc(Cl)s1 ZINC000306911691 351324327 /nfs/dbraw/zinc/32/43/27/351324327.db2.gz RAVZMEIQPRDVSJ-UHFFFAOYSA-N 0 0 224.659 3.168 10 0 BGAERN CSc1cc(F)cc(OC(F)F)c1 ZINC000306911965 351323766 /nfs/dbraw/zinc/32/37/66/351323766.db2.gz LSRUCVNXVLPZDQ-UHFFFAOYSA-N 0 0 208.204 3.149 10 0 BGAERN CSc1cccc(C(=O)C2CCC2)c1 ZINC000306912274 351324059 /nfs/dbraw/zinc/32/40/59/351324059.db2.gz MLWFCUNULFKFMZ-UHFFFAOYSA-N 0 0 206.310 3.391 10 0 BGAERN Oc1cc(-c2ccsn2)ccc1Cl ZINC000306913426 351324337 /nfs/dbraw/zinc/32/43/37/351324337.db2.gz PFEUZPFOIWMFAR-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN Cc1c(Cl)cc(F)cc1OC(F)F ZINC000306914730 351327080 /nfs/dbraw/zinc/32/70/80/351327080.db2.gz SFVJEDQDEDZJMC-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN Nc1ccc(Cl)c(OC(F)(F)F)c1Cl ZINC000306914758 351327294 /nfs/dbraw/zinc/32/72/94/351327294.db2.gz SJCGTYICLNGHQT-UHFFFAOYSA-N 0 0 246.015 3.474 10 0 BGAERN Fc1cc(C(F)(F)F)ncc1Br ZINC000306915184 351328424 /nfs/dbraw/zinc/32/84/24/351328424.db2.gz UFNMZEVUPOEGFL-UHFFFAOYSA-N 0 0 243.985 3.002 10 0 BGAERN COc1c(C)c(C)ccc1C(F)(F)F ZINC000306915694 351327999 /nfs/dbraw/zinc/32/79/99/351327999.db2.gz VIVOMFGSJSDWBS-UHFFFAOYSA-N 0 0 204.191 3.331 10 0 BGAERN Nc1ccc(C(F)(F)F)c(Cl)c1F ZINC000306916763 351328522 /nfs/dbraw/zinc/32/85/22/351328522.db2.gz XZZNCUORKSLUOX-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN Cc1cc(Br)cc2c1C[C@@H](C)C2=O ZINC000306918452 351329707 /nfs/dbraw/zinc/32/97/07/351329707.db2.gz ZZUQDNAYYQUDLZ-SSDOTTSWSA-N 0 0 239.112 3.132 10 0 BGAERN Cc1cc(Br)cc2c1C[C@H](C)C2=O ZINC000306918453 351329408 /nfs/dbraw/zinc/32/94/08/351329408.db2.gz ZZUQDNAYYQUDLZ-ZETCQYMHSA-N 0 0 239.112 3.132 10 0 BGAERN S=c1[nH]cc(Br)c2ccsc21 ZINC000306920022 351329710 /nfs/dbraw/zinc/32/97/10/351329710.db2.gz FMMGTGUJXJUZLX-UHFFFAOYSA-N 0 0 246.154 3.348 10 0 BGAERN C[C@H](c1nc(Br)ns1)C(C)(C)C ZINC000306920050 351329555 /nfs/dbraw/zinc/32/95/55/351329555.db2.gz BNIQCNPXQBFFHJ-RXMQYKEDSA-N 0 0 249.177 3.450 10 0 BGAERN C[C@@H](c1nc(Br)ns1)C(C)(C)C ZINC000306920054 351329691 /nfs/dbraw/zinc/32/96/91/351329691.db2.gz BNIQCNPXQBFFHJ-YFKPBYRVSA-N 0 0 249.177 3.450 10 0 BGAERN CCOc1cc(F)cc(C(F)F)c1F ZINC000306921948 351342252 /nfs/dbraw/zinc/34/22/52/351342252.db2.gz SRGQHGGGORQBSB-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN COc1cc(C)cc(C(F)(F)F)c1C ZINC000306921964 351342257 /nfs/dbraw/zinc/34/22/57/351342257.db2.gz SSRLTOVACUYFAF-UHFFFAOYSA-N 0 0 204.191 3.331 10 0 BGAERN Cc1c(F)ccc(OC(F)(F)F)c1F ZINC000306922995 386711060 /nfs/dbraw/zinc/71/10/60/386711060.db2.gz XXWUXVXIVFXVDP-UHFFFAOYSA-N 0 0 212.117 3.172 10 0 BGAERN Cc1cc([C@@H](O)C(C)(C)F)c(C)s1 ZINC000306924641 351342654 /nfs/dbraw/zinc/34/26/54/351342654.db2.gz KAQXEXBDVVBUDY-SECBINFHSA-N 0 0 202.294 3.146 10 0 BGAERN Cc1cc([C@H](O)C(C)(C)F)c(C)s1 ZINC000306924642 351342578 /nfs/dbraw/zinc/34/25/78/351342578.db2.gz KAQXEXBDVVBUDY-VIFPVBQESA-N 0 0 202.294 3.146 10 0 BGAERN Cc1cc(N)c(Cl)cc1C(F)(F)F ZINC000306925634 386712755 /nfs/dbraw/zinc/71/27/55/386712755.db2.gz MYXDHJAESKFLDV-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN Cc1cc(N)c(Br)c(C)c1Cl ZINC000306927697 351343670 /nfs/dbraw/zinc/34/36/70/351343670.db2.gz VGHQJQLSEQRGIR-UHFFFAOYSA-N 0 0 234.524 3.302 10 0 BGAERN CSc1c(F)ccc(OC(F)F)c1F ZINC000306929146 351345987 /nfs/dbraw/zinc/34/59/87/351345987.db2.gz AKFMTSVNTUTSDK-UHFFFAOYSA-N 0 0 226.194 3.288 10 0 BGAERN CC(C)(F)C(=O)c1ccc(Cl)s1 ZINC000306929869 397955586 /nfs/dbraw/zinc/95/55/86/397955586.db2.gz CSOOPKOZHRCZEH-UHFFFAOYSA-N 0 0 206.669 3.332 10 0 BGAERN Cc1c(N)cc(Cl)cc1C(F)(F)F ZINC000306930473 386752026 /nfs/dbraw/zinc/75/20/26/386752026.db2.gz CCEFZTPIRIVJSN-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN CCc1c(F)ccc(OC(F)F)c1F ZINC000306935102 351360148 /nfs/dbraw/zinc/36/01/48/351360148.db2.gz HTMOQZZQXXKCOB-UHFFFAOYSA-N 0 0 208.154 3.129 10 0 BGAERN CN(c1nc(Br)cs1)C(C)(C)C ZINC000306935313 353046026 /nfs/dbraw/zinc/04/60/26/353046026.db2.gz HBRYRICPQCBBIT-UHFFFAOYSA-N 0 0 249.177 3.140 10 0 BGAERN Cc1ccsc1C(=O)COCc1ccccc1 ZINC000306935558 353045983 /nfs/dbraw/zinc/04/59/83/353045983.db2.gz IMGHJDRKZWHUBN-UHFFFAOYSA-N 0 0 246.331 3.456 10 0 BGAERN CC(=O)c1c(F)cc(Cl)cc1Cl ZINC000306936840 353046406 /nfs/dbraw/zinc/04/64/06/353046406.db2.gz KAZDOBZDLZVYAQ-UHFFFAOYSA-N 0 0 207.031 3.335 10 0 BGAERN CCOc1c(F)c(F)ccc1C(F)F ZINC000306942664 351372929 /nfs/dbraw/zinc/37/29/29/351372929.db2.gz UBACNJWHFJOHEZ-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN CC(=O)c1cc(F)c(F)cc1C(F)F ZINC000306945406 397960127 /nfs/dbraw/zinc/96/01/27/397960127.db2.gz ALQLJYCYJIUFHA-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN COc1cccc(/C=C/C(F)(F)F)c1 ZINC000306946614 344587456 /nfs/dbraw/zinc/58/74/56/344587456.db2.gz MYIJLSUNCCIDJQ-AATRIKPKSA-N 0 0 202.175 3.271 10 0 BGAERN CSc1c(F)cccc1OC(F)F ZINC000306950396 353046519 /nfs/dbraw/zinc/04/65/19/353046519.db2.gz YUPWDXSRBZKMBX-UHFFFAOYSA-N 0 0 208.204 3.149 10 0 BGAERN Nc1ncc(Cc2csc(Cl)c2)s1 ZINC000306950979 351378990 /nfs/dbraw/zinc/37/89/90/351378990.db2.gz FZXRPEPZAIGASJ-UHFFFAOYSA-N 0 0 230.745 3.031 10 0 BGAERN Nc1c(Cl)cc(Cl)cc1OC(F)(F)F ZINC000306955458 351380214 /nfs/dbraw/zinc/38/02/14/351380214.db2.gz ASHLOKRYMDBNQH-UHFFFAOYSA-N 0 0 246.015 3.474 10 0 BGAERN C[C@@]1(C(=O)c2ccsc2Cl)C[C@H]1F ZINC000306959241 351381905 /nfs/dbraw/zinc/38/19/05/351381905.db2.gz XGWOJXZARHCLKD-HZGVNTEJSA-N 0 0 218.680 3.332 10 0 BGAERN C[C@@]1(C(=O)c2ccsc2Cl)C[C@@H]1F ZINC000306959242 351381794 /nfs/dbraw/zinc/38/17/94/351381794.db2.gz XGWOJXZARHCLKD-IMTBSYHQSA-N 0 0 218.680 3.332 10 0 BGAERN C[C@]1(C(=O)c2ccsc2Cl)C[C@H]1F ZINC000306959243 351382171 /nfs/dbraw/zinc/38/21/71/351382171.db2.gz XGWOJXZARHCLKD-MUWHJKNJSA-N 0 0 218.680 3.332 10 0 BGAERN C[C@]1(C(=O)c2ccsc2Cl)C[C@@H]1F ZINC000306959244 351382155 /nfs/dbraw/zinc/38/21/55/351382155.db2.gz XGWOJXZARHCLKD-RCOVLWMOSA-N 0 0 218.680 3.332 10 0 BGAERN CN(c1cccc(Br)n1)C(C)(C)C ZINC000306959288 353047174 /nfs/dbraw/zinc/04/71/74/353047174.db2.gz XJBOAVHNNNVJSL-UHFFFAOYSA-N 0 0 243.148 3.079 10 0 BGAERN Cc1cccc(C(=O)C(F)(F)F)c1Cl ZINC000306961195 351383991 /nfs/dbraw/zinc/38/39/91/351383991.db2.gz JDWRSLIYHNCFFM-UHFFFAOYSA-N 0 0 222.593 3.393 10 0 BGAERN Cc1ccc(C(=O)CC2(C)CCC2)nc1 ZINC000306962718 385728653 /nfs/dbraw/zinc/72/86/53/385728653.db2.gz GJPPIQIIVUIQAM-UHFFFAOYSA-N 0 0 203.285 3.153 10 0 BGAERN Clc1nc(N[C@@H]2CC[C@@H]3C[C@@H]32)cs1 ZINC000306965040 372082564 /nfs/dbraw/zinc/08/25/64/372082564.db2.gz NFEVNUWIZCUXCM-DSYKOEDSSA-N 0 0 214.721 3.007 10 0 BGAERN Clc1nc(N[C@@H]2CC[C@H]3C[C@H]32)cs1 ZINC000306965043 351385311 /nfs/dbraw/zinc/38/53/11/351385311.db2.gz NFEVNUWIZCUXCM-RRKCRQDMSA-N 0 0 214.721 3.007 10 0 BGAERN O=C(c1ccsn1)c1ccc(Cl)s1 ZINC000306966917 351385334 /nfs/dbraw/zinc/38/53/34/351385334.db2.gz MEMVVHFREFVVRQ-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN Cc1cc(Cl)cc(OC(F)(F)F)c1N ZINC000306967063 351385191 /nfs/dbraw/zinc/38/51/91/351385191.db2.gz 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ZINC000306975551 351396256 /nfs/dbraw/zinc/39/62/56/351396256.db2.gz NMMMQDJMHFSFTH-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN CCN(Cc1ccccc1)c1cnc(Cl)cn1 ZINC000306975947 351396258 /nfs/dbraw/zinc/39/62/58/351396258.db2.gz FSGZMLPFXYAAJJ-UHFFFAOYSA-N 0 0 247.729 3.157 10 0 BGAERN CC(F)(F)[C@H](N)c1ccc(Cl)cc1F ZINC000306977226 351396442 /nfs/dbraw/zinc/39/64/42/351396442.db2.gz AMBRNTSNWZJVOI-MRVPVSSYSA-N 0 0 223.625 3.134 10 0 BGAERN CC(F)(F)[C@@H](N)c1ccc(Cl)cc1F ZINC000306977228 351396219 /nfs/dbraw/zinc/39/62/19/351396219.db2.gz AMBRNTSNWZJVOI-QMMMGPOBSA-N 0 0 223.625 3.134 10 0 BGAERN O[C@@H]1CC[C@@H](Cc2sccc2Cl)C1 ZINC000306977335 351397157 /nfs/dbraw/zinc/39/71/57/351397157.db2.gz AQNDEOYCRNNNAM-HTQZYQBOSA-N 0 0 216.733 3.105 10 0 BGAERN O[C@@H]1CC[C@H](Cc2sccc2Cl)C1 ZINC000306977336 351397538 /nfs/dbraw/zinc/39/75/38/351397538.db2.gz AQNDEOYCRNNNAM-JGVFFNPUSA-N 0 0 216.733 3.105 10 0 BGAERN O[C@H]1CC[C@@H](Cc2sccc2Cl)C1 ZINC000306977337 351397257 /nfs/dbraw/zinc/39/72/57/351397257.db2.gz AQNDEOYCRNNNAM-SFYZADRCSA-N 0 0 216.733 3.105 10 0 BGAERN O[C@H]1CC[C@H](Cc2sccc2Cl)C1 ZINC000306977339 351397350 /nfs/dbraw/zinc/39/73/50/351397350.db2.gz AQNDEOYCRNNNAM-YUMQZZPRSA-N 0 0 216.733 3.105 10 0 BGAERN Nc1ccc(Cl)cc1-c1ccns1 ZINC000306978173 351397403 /nfs/dbraw/zinc/39/74/03/351397403.db2.gz ZUCRGRYPSDZGHD-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN Brc1cc(NC2CCCC2)ccn1 ZINC000306978184 351396935 /nfs/dbraw/zinc/39/69/35/351396935.db2.gz ZVMTYXJDEJGGQD-UHFFFAOYSA-N 0 0 241.132 3.199 10 0 BGAERN Cc1c(N)ccc(OC(F)(F)F)c1Cl ZINC000306983019 351398276 /nfs/dbraw/zinc/39/82/76/351398276.db2.gz SILLBTGJLQHAJY-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN CC(=O)[C@@H]1C[C@@H]1c1sccc1Cl ZINC000306983671 397964616 /nfs/dbraw/zinc/96/46/16/397964616.db2.gz TYUPYYWVLZZTOI-BQBZGAKWSA-N 0 0 200.690 3.094 10 0 BGAERN CC(=O)[C@@H]1C[C@H]1c1sccc1Cl ZINC000306983672 397964463 /nfs/dbraw/zinc/96/44/63/397964463.db2.gz TYUPYYWVLZZTOI-NKWVEPMBSA-N 0 0 200.690 3.094 10 0 BGAERN CC(=O)[C@H]1C[C@H]1c1sccc1Cl ZINC000306983673 397964716 /nfs/dbraw/zinc/96/47/16/397964716.db2.gz TYUPYYWVLZZTOI-RNFRBKRXSA-N 0 0 200.690 3.094 10 0 BGAERN CC(=O)[C@H]1C[C@@H]1c1sccc1Cl ZINC000306983674 397964412 /nfs/dbraw/zinc/96/44/12/397964412.db2.gz TYUPYYWVLZZTOI-RQJHMYQMSA-N 0 0 200.690 3.094 10 0 BGAERN Fc1c(Cl)cccc1NC1CSC1 ZINC000306984256 353049011 /nfs/dbraw/zinc/04/90/11/353049011.db2.gz LTNWOYLRYLCNJF-UHFFFAOYSA-N 0 0 217.696 3.006 10 0 BGAERN OC1(CCCOCc2ccccc2)CCCC1 ZINC000306984415 229399576 /nfs/dbraw/zinc/39/95/76/229399576.db2.gz VFUNUIHJEXHCBZ-UHFFFAOYSA-N 0 0 234.339 3.289 10 0 BGAERN O=C(c1cccs1)c1sccc1F ZINC000306986098 351403170 /nfs/dbraw/zinc/40/31/70/351403170.db2.gz OINMXOAOUJITMS-UHFFFAOYSA-N 0 0 212.270 3.180 10 0 BGAERN Cc1cc(N)cc(Cl)c1OC(F)(F)F ZINC000306986233 351403107 /nfs/dbraw/zinc/40/31/07/351403107.db2.gz XHFVLHJQXGVXAQ-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN C[C@H](COCc1ccccc1)Nc1nccs1 ZINC000306987095 635979259 /nfs/dbraw/zinc/97/92/59/635979259.db2.gz YEZHQVIAJKGXFQ-LLVKDONJSA-N 0 0 248.351 3.160 10 0 BGAERN C[C@@H](COCc1ccccc1)Nc1nccs1 ZINC000306987099 635978321 /nfs/dbraw/zinc/97/83/21/635978321.db2.gz YEZHQVIAJKGXFQ-NSHDSACASA-N 0 0 248.351 3.160 10 0 BGAERN Cc1cc(OC(F)(F)F)cc(Cl)c1N ZINC000306987307 351403891 /nfs/dbraw/zinc/40/38/91/351403891.db2.gz YPHFCBMEZVAYBP-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN CSc1cccc(F)c1OC(F)F ZINC000306988093 351405083 /nfs/dbraw/zinc/40/50/83/351405083.db2.gz ZYCZADAFVARROY-UHFFFAOYSA-N 0 0 208.204 3.149 10 0 BGAERN OCC1(CCOCc2ccccc2)CCCC1 ZINC000306988202 351405193 /nfs/dbraw/zinc/40/51/93/351405193.db2.gz RBLNYKAXWFDAHC-UHFFFAOYSA-N 0 0 234.339 3.146 10 0 BGAERN Cc1c(Br)cc(F)c2c1CCCN2 ZINC000306989595 351405105 /nfs/dbraw/zinc/40/51/05/351405105.db2.gz SHWGFVQSRGCUDE-UHFFFAOYSA-N 0 0 244.107 3.255 10 0 BGAERN C[C@@H](CC1CC1)Nc1cc(Cl)nc(Cl)n1 ZINC000306992233 351409963 /nfs/dbraw/zinc/40/99/63/351409963.db2.gz WGLOPXZQNALHCF-LURJTMIESA-N 0 0 246.141 3.384 10 0 BGAERN C[C@H](CC1CC1)Nc1cc(Cl)nc(Cl)n1 ZINC000306992234 351409572 /nfs/dbraw/zinc/40/95/72/351409572.db2.gz WGLOPXZQNALHCF-ZCFIWIBFSA-N 0 0 246.141 3.384 10 0 BGAERN Cc1c[nH]c(C(=O)c2ccc(Cl)o2)c1C ZINC000306993022 351410181 /nfs/dbraw/zinc/41/01/81/351410181.db2.gz XZHJVRJMEOWROQ-UHFFFAOYSA-N 0 0 223.659 3.109 10 0 BGAERN C[C@H](c1onc(N)c1Br)C(C)(C)C ZINC000306993422 351410226 /nfs/dbraw/zinc/41/02/26/351410226.db2.gz ZGESFAJSRCARIL-RXMQYKEDSA-N 0 0 247.136 3.169 10 0 BGAERN C[C@@H](c1onc(N)c1Br)C(C)(C)C ZINC000306993423 351410213 /nfs/dbraw/zinc/41/02/13/351410213.db2.gz ZGESFAJSRCARIL-YFKPBYRVSA-N 0 0 247.136 3.169 10 0 BGAERN Cc1ccsc1-c1nc(N)c(C)s1 ZINC000307000538 351411923 /nfs/dbraw/zinc/41/19/23/351411923.db2.gz BBJZQPNBJWFZNA-UHFFFAOYSA-N 0 0 210.327 3.071 10 0 BGAERN CCC(C)(C)C(=O)CN(C)Cc1ccccc1 ZINC000307000973 351413734 /nfs/dbraw/zinc/41/37/34/351413734.db2.gz DSYBCKIJXDTXHT-UHFFFAOYSA-N 0 0 233.355 3.124 10 0 BGAERN Cc1csc2c1nccc2Br ZINC000307001923 351412745 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/nfs/dbraw/zinc/08/64/48/372086448.db2.gz HZCMQAKHYISCLW-UHFFFAOYSA-N 0 0 208.154 3.129 10 0 BGAERN CNc1nc(-c2ccsc2)c(C)s1 ZINC000307106686 351482314 /nfs/dbraw/zinc/48/23/14/351482314.db2.gz FBOUWHNGCTUYGG-UHFFFAOYSA-N 0 0 210.327 3.222 10 0 BGAERN Cc1c(C2CCCC2)nc2sccn12 ZINC000307109116 351480505 /nfs/dbraw/zinc/48/05/05/351480505.db2.gz BATVMUHENDRZLD-UHFFFAOYSA-N 0 0 206.314 3.362 10 0 BGAERN Cc1cc(-c2cccc(N)c2C)sn1 ZINC000307111900 643407984 /nfs/dbraw/zinc/40/79/84/643407984.db2.gz OHOPIEILVAUCMS-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CCc1cc(F)cc(F)c1OC(F)F ZINC000307112074 351484786 /nfs/dbraw/zinc/48/47/86/351484786.db2.gz PFLFLGHZJVGXNI-UHFFFAOYSA-N 0 0 208.154 3.129 10 0 BGAERN CCOc1c(F)cc(C(F)F)cc1F ZINC000307113113 351485500 /nfs/dbraw/zinc/48/55/00/351485500.db2.gz QRCMUBDOMJXIKX-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN CC[C@H](C)[C@H](O)c1ccc(N)cc1Cl ZINC000307113371 351485452 /nfs/dbraw/zinc/48/54/52/351485452.db2.gz AMXCIJREHMTFTI-CPCISQLKSA-N 0 0 213.708 3.002 10 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351487868 /nfs/dbraw/zinc/48/78/68/351487868.db2.gz OSTOAOGSJZDPRP-SNVBAGLBSA-N 0 0 245.388 3.139 10 0 BGAERN Cc1ccsc1-c1cnc(Cl)cn1 ZINC000307119696 351489003 /nfs/dbraw/zinc/48/90/03/351489003.db2.gz GQUHLFJLJAKPRB-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN FC1(F)CCCC[C@@H]1c1nnc(Cl)o1 ZINC000307119802 397980039 /nfs/dbraw/zinc/98/00/39/397980039.db2.gz HGCFSFMCJDOPNH-RXMQYKEDSA-N 0 0 222.622 3.016 10 0 BGAERN FC1(F)CCCC[C@H]1c1nnc(Cl)o1 ZINC000307119805 397979958 /nfs/dbraw/zinc/97/99/58/397979958.db2.gz HGCFSFMCJDOPNH-YFKPBYRVSA-N 0 0 222.622 3.016 10 0 BGAERN FCCCNc1nc2ccccc2s1 ZINC000307119831 397979992 /nfs/dbraw/zinc/97/99/92/397979992.db2.gz HJMCARCSZULXCV-UHFFFAOYSA-N 0 0 210.277 3.068 10 0 BGAERN Cc1cc(CNc2ccsc2)c(C)[nH]1 ZINC000307121154 351489721 /nfs/dbraw/zinc/48/97/21/351489721.db2.gz KBTDGRMWCRHNDS-UHFFFAOYSA-N 0 0 206.314 3.305 10 0 BGAERN Cc1cnc(N[C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000307122756 411466697 /nfs/dbraw/zinc/46/66/97/411466697.db2.gz 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/nfs/dbraw/zinc/98/64/69/397986469.db2.gz AITSKQWPBFQYOR-POYBYMJQSA-N 0 0 206.257 3.073 10 0 BGAERN C[C@H]([C@H](O)c1cccs1)C(C)(F)F ZINC000307134788 397986571 /nfs/dbraw/zinc/98/65/71/397986571.db2.gz AITSKQWPBFQYOR-SVRRBLITSA-N 0 0 206.257 3.073 10 0 BGAERN C[C@@H]([C@H](O)c1cccs1)C(C)(F)F ZINC000307134789 397986654 /nfs/dbraw/zinc/98/66/54/397986654.db2.gz AITSKQWPBFQYOR-XPUUQOCRSA-N 0 0 206.257 3.073 10 0 BGAERN Clc1nsnc1N1CCCC12CCCC2 ZINC000307135670 385932569 /nfs/dbraw/zinc/93/25/69/385932569.db2.gz RLDJZJLTGADROM-UHFFFAOYSA-N 0 0 243.763 3.105 10 0 BGAERN CCc1ccc(N)cc1NC(=O)OC(C)(C)C ZINC000307135764 351494284 /nfs/dbraw/zinc/49/42/84/351494284.db2.gz RQMWOJYXHKVVGT-UHFFFAOYSA-N 0 0 236.315 3.178 10 0 BGAERN C[Si](C)(C)c1ccc2c3c(cccc31)CC2 ZINC000307136099 351494475 /nfs/dbraw/zinc/49/44/75/351494475.db2.gz STPVAOISYSIHEX-UHFFFAOYSA-N 0 0 226.395 3.484 10 0 BGAERN Nc1cc(Cl)cc(Cl)c1OC(F)(F)F ZINC000307139032 351494881 /nfs/dbraw/zinc/49/48/81/351494881.db2.gz 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O[C@@H]1CCC[C@H]1CCCOCc1ccccc1 ZINC000307157009 351508243 /nfs/dbraw/zinc/50/82/43/351508243.db2.gz PCKYECHWJTXERF-LSDHHAIUSA-N 0 0 234.339 3.144 10 0 BGAERN N[C@@H](c1ccco1)c1ccsc1Cl ZINC000307157296 351508357 /nfs/dbraw/zinc/50/83/57/351508357.db2.gz PYLFFADQJNGNII-MRVPVSSYSA-N 0 0 213.689 3.043 10 0 BGAERN N[C@H](c1ccco1)c1ccsc1Cl ZINC000307157297 351508320 /nfs/dbraw/zinc/50/83/20/351508320.db2.gz PYLFFADQJNGNII-QMMMGPOBSA-N 0 0 213.689 3.043 10 0 BGAERN Cc1nc(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cs1 ZINC000307157863 385966678 /nfs/dbraw/zinc/96/66/78/385966678.db2.gz RFZSVJHMHQNHGB-JZYVYDRUSA-N 0 0 221.325 3.070 10 0 BGAERN CCC(=O)Cc1ccsc1Br ZINC000307159563 351509706 /nfs/dbraw/zinc/50/97/06/351509706.db2.gz UQUBCUYODPHGOD-UHFFFAOYSA-N 0 0 233.130 3.032 10 0 BGAERN COc1c(C)nc(-c2cccs2)nc1Cl ZINC000307159670 351510651 /nfs/dbraw/zinc/51/06/51/351510651.db2.gz JMDOSOTXZHFGQR-UHFFFAOYSA-N 0 0 240.715 3.176 10 0 BGAERN C[C@H]1CCC[C@H]1c1nsc(Br)n1 ZINC000307161649 353058651 /nfs/dbraw/zinc/05/86/51/353058651.db2.gz XEELLSIEDLYIRY-NTSWFWBYSA-N 0 0 247.161 3.204 10 0 BGAERN C[C@@H]1CCC[C@H]1c1nsc(Br)n1 ZINC000307161650 385989923 /nfs/dbraw/zinc/98/99/23/385989923.db2.gz XEELLSIEDLYIRY-PHDIDXHHSA-N 0 0 247.161 3.204 10 0 BGAERN C[C@@H]1CCC[C@@H]1c1nsc(Br)n1 ZINC000307161651 385989973 /nfs/dbraw/zinc/98/99/73/385989973.db2.gz XEELLSIEDLYIRY-RITPCOANSA-N 0 0 247.161 3.204 10 0 BGAERN C[C@H]1CCC[C@@H]1c1nsc(Br)n1 ZINC000307161652 385990276 /nfs/dbraw/zinc/99/02/76/385990276.db2.gz XEELLSIEDLYIRY-WDSKDSINSA-N 0 0 247.161 3.204 10 0 BGAERN Nc1cc(Cl)ccc1-c1cscn1 ZINC000307162637 351529845 /nfs/dbraw/zinc/52/98/45/351529845.db2.gz LNVZGKUMZCVIAZ-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN CO[C@H](C)[C@H](O)c1ccc(Cl)cc1Cl ZINC000307162854 353058753 /nfs/dbraw/zinc/05/87/53/353058753.db2.gz YVFYKPRQZDXGEF-LDWIPMOCSA-N 0 0 235.110 3.062 10 0 BGAERN CO[C@H](C)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000307162855 351529881 /nfs/dbraw/zinc/52/98/81/351529881.db2.gz 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Cc1sccc1[C@H](O)[C@H]1CCCSC1 ZINC000307163590 351528797 /nfs/dbraw/zinc/52/87/97/351528797.db2.gz ZJFXHFCMWSJPSL-GXSJLCMTSA-N 0 0 228.382 3.233 10 0 BGAERN Cc1sccc1[C@@H](O)[C@@H]1CCCSC1 ZINC000307163591 351528315 /nfs/dbraw/zinc/52/83/15/351528315.db2.gz ZJFXHFCMWSJPSL-KOLCDFICSA-N 0 0 228.382 3.233 10 0 BGAERN Cc1sccc1[C@H](O)[C@@H]1CCCSC1 ZINC000307163592 351528434 /nfs/dbraw/zinc/52/84/34/351528434.db2.gz ZJFXHFCMWSJPSL-MWLCHTKSSA-N 0 0 228.382 3.233 10 0 BGAERN Cc1sccc1[C@@H](O)[C@H]1CCCSC1 ZINC000307163593 351528606 /nfs/dbraw/zinc/52/86/06/351528606.db2.gz ZJFXHFCMWSJPSL-ONGXEEELSA-N 0 0 228.382 3.233 10 0 BGAERN C[C@H](CC(F)F)Nc1ncc(Cl)cc1F ZINC000307163801 351529547 /nfs/dbraw/zinc/52/95/47/351529547.db2.gz MAKKPOMQECRHJX-RXMQYKEDSA-N 0 0 238.640 3.330 10 0 BGAERN C[C@@H](CC(F)F)Nc1ncc(Cl)cc1F ZINC000307163809 351529876 /nfs/dbraw/zinc/52/98/76/351529876.db2.gz MAKKPOMQECRHJX-YFKPBYRVSA-N 0 0 238.640 3.330 10 0 BGAERN CC(=O)c1cccc2sc(Cl)nc21 ZINC000307163963 527390766 /nfs/dbraw/zinc/39/07/66/527390766.db2.gz JGZUFQJOPVQBTO-UHFFFAOYSA-N 0 0 211.673 3.152 10 0 BGAERN C[C@H]1CCC[C@H](c2nnc(Cl)s2)C1 ZINC000307166738 372089147 /nfs/dbraw/zinc/08/91/47/372089147.db2.gz PTFUDJJIADJOAJ-BQBZGAKWSA-N 0 0 216.737 3.485 10 0 BGAERN C[C@H]1CCC[C@@H](c2nnc(Cl)s2)C1 ZINC000307166739 372089305 /nfs/dbraw/zinc/08/93/05/372089305.db2.gz PTFUDJJIADJOAJ-NKWVEPMBSA-N 0 0 216.737 3.485 10 0 BGAERN C[C@@H]1CCC[C@@H](c2nnc(Cl)s2)C1 ZINC000307166740 372089272 /nfs/dbraw/zinc/08/92/72/372089272.db2.gz PTFUDJJIADJOAJ-RNFRBKRXSA-N 0 0 216.737 3.485 10 0 BGAERN C[C@@H]1CCC[C@H](c2nnc(Cl)s2)C1 ZINC000307166741 372089025 /nfs/dbraw/zinc/08/90/25/372089025.db2.gz PTFUDJJIADJOAJ-RQJHMYQMSA-N 0 0 216.737 3.485 10 0 BGAERN Fc1cnc(Br)c(C(F)(F)F)c1 ZINC000307166802 351538245 /nfs/dbraw/zinc/53/82/45/351538245.db2.gz PZGPUZCRTHTODV-UHFFFAOYSA-N 0 0 243.985 3.002 10 0 BGAERN Oc1cc(Br)c(C(F)F)cc1F ZINC000307167076 351536157 /nfs/dbraw/zinc/53/61/57/351536157.db2.gz QORVRLUNTDJPJP-UHFFFAOYSA-N 0 0 241.006 3.231 10 0 BGAERN CC(C)(F)C(=O)c1ccc(Cl)cc1 ZINC000307167191 351536906 /nfs/dbraw/zinc/53/69/06/351536906.db2.gz QXGSULAFSXJQJX-UHFFFAOYSA-N 0 0 200.640 3.271 10 0 BGAERN COc1cc2ncsc2c(Br)c1 ZINC000307167978 372090008 /nfs/dbraw/zinc/09/00/08/372090008.db2.gz SZDZGJXWEGFNSO-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN C[C@H]1CCC[C@H](c2nnc(Cl)o2)C1 ZINC000307168046 351539100 /nfs/dbraw/zinc/53/91/00/351539100.db2.gz UATWQPAKHXCWGK-BQBZGAKWSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@H]1CCC[C@@H](c2nnc(Cl)o2)C1 ZINC000307168047 351539478 /nfs/dbraw/zinc/53/94/78/351539478.db2.gz UATWQPAKHXCWGK-NKWVEPMBSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@@H]1CCC[C@@H](c2nnc(Cl)o2)C1 ZINC000307168048 351539184 /nfs/dbraw/zinc/53/91/84/351539184.db2.gz UATWQPAKHXCWGK-RNFRBKRXSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@@H]1CCC[C@H](c2nnc(Cl)o2)C1 ZINC000307168049 351539489 /nfs/dbraw/zinc/53/94/89/351539489.db2.gz UATWQPAKHXCWGK-RQJHMYQMSA-N 0 0 200.669 3.017 10 0 BGAERN COc1cc(Br)cc2ncsc21 ZINC000307168968 351543210 /nfs/dbraw/zinc/54/32/10/351543210.db2.gz WQVUOOBSCZEPBK-UHFFFAOYSA-N 0 0 244.113 3.067 10 0 BGAERN Cc1csc(NC(C)(C)C(F)(F)F)n1 ZINC000307169245 351543301 /nfs/dbraw/zinc/54/33/01/351543301.db2.gz XNPXVGLSQNWSKG-UHFFFAOYSA-N 0 0 224.251 3.204 10 0 BGAERN CC(=O)c1sc([C@@]2(C)CCCS2)nc1C ZINC000307169453 351544445 /nfs/dbraw/zinc/54/44/45/351544445.db2.gz YHMGBNOHYVJEEY-LLVKDONJSA-N 0 0 241.381 3.396 10 0 BGAERN CC(=O)c1sc([C@]2(C)CCCS2)nc1C ZINC000307169493 351544402 /nfs/dbraw/zinc/54/44/02/351544402.db2.gz YHMGBNOHYVJEEY-NSHDSACASA-N 0 0 241.381 3.396 10 0 BGAERN C[C@H]1C[NH2+][C@]2(CCCC23CCC3)SC1 ZINC000307170001 351544285 /nfs/dbraw/zinc/54/42/85/351544285.db2.gz ZORHBLCZJCLUKQ-CMPLNLGQSA-N 0 0 211.374 3.009 10 0 BGAERN C[C@H]1C[NH2+][C@@]2(CCCC23CCC3)SC1 ZINC000307170002 351544465 /nfs/dbraw/zinc/54/44/65/351544465.db2.gz ZORHBLCZJCLUKQ-JQWIXIFHSA-N 0 0 211.374 3.009 10 0 BGAERN C[C@@H]1C[NH2+][C@@]2(CCCC23CCC3)SC1 ZINC000307170003 351544356 /nfs/dbraw/zinc/54/43/56/351544356.db2.gz ZORHBLCZJCLUKQ-PWSUYJOCSA-N 0 0 211.374 3.009 10 0 BGAERN Cc1ccc(Cl)c(C(=O)C(F)F)c1 ZINC000307170393 351545787 /nfs/dbraw/zinc/54/57/87/351545787.db2.gz GSAVTSQCFJQOBM-UHFFFAOYSA-N 0 0 204.603 3.096 10 0 BGAERN C/C(=C\c1ccsc1Cl)[C@@H](C)O ZINC000307172758 353059557 /nfs/dbraw/zinc/05/95/57/353059557.db2.gz NLZCJEVFNGPPGK-WEWAHIQMSA-N 0 0 202.706 3.186 10 0 BGAERN C/C(=C\c1ccsc1Cl)[C@H](C)O ZINC000307172759 351562515 /nfs/dbraw/zinc/56/25/15/351562515.db2.gz NLZCJEVFNGPPGK-XPPMVYLVSA-N 0 0 202.706 3.186 10 0 BGAERN Cc1[nH]c(=S)sc1CC(C)(C)C ZINC000307177968 351565479 /nfs/dbraw/zinc/56/54/79/351565479.db2.gz YASHFJVMRDWRGH-UHFFFAOYSA-N 0 0 201.360 3.329 10 0 BGAERN Nc1ccc(-c2ccsn2)cc1Cl ZINC000307180136 351567017 /nfs/dbraw/zinc/56/70/17/351567017.db2.gz NNTNPOJFEARCRH-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN COc1cc(NCc2ccccc2)c(N)cc1C ZINC000307181809 372094332 /nfs/dbraw/zinc/09/43/32/372094332.db2.gz SIMBUIQSSUVJPK-UHFFFAOYSA-N 0 0 242.322 3.198 10 0 BGAERN CCc1cccc(F)c1OC(F)(F)F ZINC000307182331 386132969 /nfs/dbraw/zinc/13/29/69/386132969.db2.gz UJJQOWXPQNLUCZ-UHFFFAOYSA-N 0 0 208.154 3.287 10 0 BGAERN Cc1ccc(OC(F)F)c(F)c1Cl ZINC000307182510 351578679 /nfs/dbraw/zinc/57/86/79/351578679.db2.gz VHWSIINMPNADRU-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN Cc1cc(Cl)cc(N)c1OC(F)(F)F ZINC000307182965 398013758 /nfs/dbraw/zinc/01/37/58/398013758.db2.gz WRIJSUWXOAKORQ-UHFFFAOYSA-N 0 0 225.597 3.129 10 0 BGAERN O=Cc1ncc(-c2ccc(Cl)s2)s1 ZINC000307183546 351579266 /nfs/dbraw/zinc/57/92/66/351579266.db2.gz PPKWQLPRNSPHGD-UHFFFAOYSA-N 0 0 229.713 3.338 10 0 BGAERN Cc1cc(-c2ccc(F)cc2C=O)sn1 ZINC000307183707 643668057 /nfs/dbraw/zinc/66/80/57/643668057.db2.gz YVVCCQOLYZXNTK-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN CC(=O)c1cc(F)c(F)c(C(F)F)c1 ZINC000307183759 386155341 /nfs/dbraw/zinc/15/53/41/386155341.db2.gz ZCOBCVBNKVOSLI-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN CC1(CC(=O)c2ccc(Cl)nc2)CCC1 ZINC000307185574 386010056 /nfs/dbraw/zinc/01/00/56/386010056.db2.gz SGCSHJZXICUJKR-UHFFFAOYSA-N 0 0 223.703 3.498 10 0 BGAERN Nc1c(Cl)ccc(Cl)c1OC(F)(F)F ZINC000307185662 351586184 /nfs/dbraw/zinc/58/61/84/351586184.db2.gz JINNOFBIXDNQJF-UHFFFAOYSA-N 0 0 246.015 3.474 10 0 BGAERN O[C@H]1C=C(Cc2sccc2Cl)CC1 ZINC000307186193 351585980 /nfs/dbraw/zinc/58/59/80/351585980.db2.gz UHJGNLQXXIUXKY-MRVPVSSYSA-N 0 0 214.717 3.025 10 0 BGAERN O[C@@H]1C=C(Cc2sccc2Cl)CC1 ZINC000307186194 351587436 /nfs/dbraw/zinc/58/74/36/351587436.db2.gz UHJGNLQXXIUXKY-QMMMGPOBSA-N 0 0 214.717 3.025 10 0 BGAERN CSc1cc(F)cc(F)c1OC(F)F ZINC000307186526 351589129 /nfs/dbraw/zinc/58/91/29/351589129.db2.gz MCEIUPNZQDJQEU-UHFFFAOYSA-N 0 0 226.194 3.288 10 0 BGAERN CC(=O)c1ccc(F)c(F)c1C(F)F ZINC000307190462 351591382 /nfs/dbraw/zinc/59/13/82/351591382.db2.gz XPENTBNFEMFDDI-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN C[C@@H]1CCNc2c(F)c(F)c(F)cc21 ZINC000307190536 351591921 /nfs/dbraw/zinc/59/19/21/351591921.db2.gz ZQFXZLQLLVNZER-RXMQYKEDSA-N 0 0 201.191 3.023 10 0 BGAERN C[C@H]1CCNc2c(F)c(F)c(F)cc21 ZINC000307190537 351591812 /nfs/dbraw/zinc/59/18/12/351591812.db2.gz ZQFXZLQLLVNZER-YFKPBYRVSA-N 0 0 201.191 3.023 10 0 BGAERN CC(=O)c1c(Cl)cccc1SC1COC1 ZINC000307192937 351594511 /nfs/dbraw/zinc/59/45/11/351594511.db2.gz DVXYEGGLYOQVSU-UHFFFAOYSA-N 0 0 242.727 3.034 10 0 BGAERN Cc1ncc(NCc2cccs2)s1 ZINC000307193206 351594258 /nfs/dbraw/zinc/59/42/58/351594258.db2.gz NKPLCWDCCOCYJO-UHFFFAOYSA-N 0 0 210.327 3.125 10 0 BGAERN CSC1(CNc2cccnc2Cl)CC1 ZINC000307194717 351595456 /nfs/dbraw/zinc/59/54/56/351595456.db2.gz KECXFLXPPMIKLV-UHFFFAOYSA-N 0 0 228.748 3.043 10 0 BGAERN Cc1nc(Br)sc1CC(C)C ZINC000307195297 351596065 /nfs/dbraw/zinc/59/60/65/351596065.db2.gz RIBMCTRKLYHRAP-UHFFFAOYSA-N 0 0 234.162 3.413 10 0 BGAERN CC(F)(F)C[C@H](O)c1sccc1Cl ZINC000307195411 351596286 /nfs/dbraw/zinc/59/62/86/351596286.db2.gz LXDGONTYJWPAAI-LURJTMIESA-N 0 0 226.675 3.480 10 0 BGAERN CC(F)(F)C[C@@H](O)c1sccc1Cl ZINC000307195413 351596672 /nfs/dbraw/zinc/59/66/72/351596672.db2.gz LXDGONTYJWPAAI-ZCFIWIBFSA-N 0 0 226.675 3.480 10 0 BGAERN Cc1cccc(-c2cnc(C=O)s2)c1C ZINC000307197186 351597896 /nfs/dbraw/zinc/59/78/96/351597896.db2.gz QTEDOUWXMQLVJA-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN CC1CCC(CC(=O)C(C)(F)F)CC1 ZINC000307197585 351598843 /nfs/dbraw/zinc/59/88/43/351598843.db2.gz WHTCKJZJGMGWBI-UHFFFAOYSA-N 0 0 204.260 3.427 10 0 BGAERN Cc1c(Cl)c(N)c(F)cc1Br ZINC000307198730 351599917 /nfs/dbraw/zinc/59/99/17/351599917.db2.gz YODFHWIOWMCSPJ-UHFFFAOYSA-N 0 0 238.487 3.132 10 0 BGAERN O=C(c1ccsn1)c1ccc(F)c(Cl)c1 ZINC000307199634 388389528 /nfs/dbraw/zinc/38/95/28/388389528.db2.gz CNGHMGUNIQIKLH-UHFFFAOYSA-N 0 0 241.674 3.167 10 0 BGAERN CC(C)(F)C(=O)c1cccc(Cl)c1 ZINC000307201222 351604146 /nfs/dbraw/zinc/60/41/46/351604146.db2.gz ZYTYNJNVSHSZKX-UHFFFAOYSA-N 0 0 200.640 3.271 10 0 BGAERN Nc1c(Br)cc(F)c2ccccc12 ZINC000307203154 353060570 /nfs/dbraw/zinc/06/05/70/353060570.db2.gz DUDRTNUKFCPJHP-UHFFFAOYSA-N 0 0 240.075 3.324 10 0 BGAERN C[C@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000307204104 353060292 /nfs/dbraw/zinc/06/02/92/353060292.db2.gz HRTHSCXFJSWENF-BQBZGAKWSA-N 0 0 216.737 3.397 10 0 BGAERN C[C@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000307204105 351606678 /nfs/dbraw/zinc/60/66/78/351606678.db2.gz HRTHSCXFJSWENF-NKWVEPMBSA-N 0 0 216.737 3.397 10 0 BGAERN C[C@@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000307204106 351606549 /nfs/dbraw/zinc/60/65/49/351606549.db2.gz HRTHSCXFJSWENF-RNFRBKRXSA-N 0 0 216.737 3.397 10 0 BGAERN C[C@@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000307204107 351606293 /nfs/dbraw/zinc/60/62/93/351606293.db2.gz HRTHSCXFJSWENF-RQJHMYQMSA-N 0 0 216.737 3.397 10 0 BGAERN Fc1ccc(NC2CSC2)cc1Cl ZINC000307204453 351605828 /nfs/dbraw/zinc/60/58/28/351605828.db2.gz IISVOJDGSZXSAD-UHFFFAOYSA-N 0 0 217.696 3.006 10 0 BGAERN COC(=O)Nc1cccc2ccsc21 ZINC000307204486 353060316 /nfs/dbraw/zinc/06/03/16/353060316.db2.gz FVOIOZSILBMGRJ-UHFFFAOYSA-N 0 0 207.254 3.080 10 0 BGAERN CC1(C(=O)c2ccc(Br)o2)CC1 ZINC000307204812 351608517 /nfs/dbraw/zinc/60/85/17/351608517.db2.gz IXNFHDZIRRAGGN-UHFFFAOYSA-N 0 0 229.073 3.025 10 0 BGAERN F[C@@H]1CCC[C@@H]1Nc1ncc(Cl)s1 ZINC000307204825 351607830 /nfs/dbraw/zinc/60/78/30/351607830.db2.gz IXWRCEGHMFWZLH-RITPCOANSA-N 0 0 220.700 3.099 10 0 BGAERN CCOc1c(Cl)ccc(O)c1Cl ZINC000307204937 372097081 /nfs/dbraw/zinc/09/70/81/372097081.db2.gz GTVXDAYQNDVTBK-UHFFFAOYSA-N 0 0 207.056 3.098 10 0 BGAERN Cc1c[nH]c2nc(Cl)c(Br)cc12 ZINC000307206396 345194617 /nfs/dbraw/zinc/19/46/17/345194617.db2.gz KVTCKFGZYJKKIX-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Cc1cc([C@@H](O)c2sccc2F)cs1 ZINC000307206658 351609300 /nfs/dbraw/zinc/60/93/00/351609300.db2.gz LNZMMPNMWIPJJK-SECBINFHSA-N 0 0 228.313 3.339 10 0 BGAERN Cc1cc([C@H](O)c2sccc2F)cs1 ZINC000307206825 351610416 /nfs/dbraw/zinc/61/04/16/351610416.db2.gz LNZMMPNMWIPJJK-VIFPVBQESA-N 0 0 228.313 3.339 10 0 BGAERN Cc1cc(N)c(C(F)(F)F)cc1Cl ZINC000307209187 372096651 /nfs/dbraw/zinc/09/66/51/372096651.db2.gz ASVBUDPIFDWKIO-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN O=C(c1cc(F)c(Cl)c(F)c1)C1CC1 ZINC000307209431 351609243 /nfs/dbraw/zinc/60/92/43/351609243.db2.gz LAFHXKPQTKXDFE-UHFFFAOYSA-N 0 0 216.614 3.211 10 0 BGAERN CC(C)(C)C(C)(C)c1nnc(Cl)o1 ZINC000307212726 351614814 /nfs/dbraw/zinc/61/48/14/351614814.db2.gz WDEULKGGGQXIRX-UHFFFAOYSA-N 0 0 202.685 3.047 10 0 BGAERN Fc1cc(C(F)(F)F)c(Br)cn1 ZINC000307212817 353061234 /nfs/dbraw/zinc/06/12/34/353061234.db2.gz POHREIZCQVQVND-UHFFFAOYSA-N 0 0 243.985 3.002 10 0 BGAERN C/C=C/CNc1nc(Cl)nc2sccc21 ZINC000307215634 351618314 /nfs/dbraw/zinc/61/83/14/351618314.db2.gz BEZQMINTPKCQJS-NSCUHMNNSA-N 0 0 239.731 3.333 10 0 BGAERN Nc1cc(-c2ccns2)ccc1Cl ZINC000307216173 351618185 /nfs/dbraw/zinc/61/81/85/351618185.db2.gz TUQWPCOVQQIYIV-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN CCC(=O)c1cc(Cl)c(C)cc1F ZINC000307218787 353061026 /nfs/dbraw/zinc/06/10/26/353061026.db2.gz GTOSJQMUMRZLDU-UHFFFAOYSA-N 0 0 200.640 3.380 10 0 BGAERN CSc1cc(OC(F)(F)F)ccc1F ZINC000307220421 353061779 /nfs/dbraw/zinc/06/17/79/353061779.db2.gz HTLURMAFGICEMO-UHFFFAOYSA-N 0 0 226.194 3.446 10 0 BGAERN CC(F)(F)C[C@H](O)C1=CCCCCC1 ZINC000307220767 372099417 /nfs/dbraw/zinc/09/94/17/372099417.db2.gz IDGUDWJXIKPWTO-JTQLQIEISA-N 0 0 204.260 3.283 10 0 BGAERN CC(F)(F)C[C@@H](O)C1=CCCCCC1 ZINC000307220771 372099244 /nfs/dbraw/zinc/09/92/44/372099244.db2.gz IDGUDWJXIKPWTO-SNVBAGLBSA-N 0 0 204.260 3.283 10 0 BGAERN Fc1cc(Br)cc(NC2CC2)c1 ZINC000307220841 372099702 /nfs/dbraw/zinc/09/97/02/372099702.db2.gz IGOJQZFKUUSPBP-UHFFFAOYSA-N 0 0 230.080 3.163 10 0 BGAERN COc1c(F)cc(F)c(C(F)F)c1F ZINC000307221905 351646282 /nfs/dbraw/zinc/64/62/82/351646282.db2.gz YJKVJQBNLLHQGB-UHFFFAOYSA-N 0 0 212.117 3.050 10 0 BGAERN CC(C)(F)c1nc2cc(Cl)ccc2[nH]1 ZINC000307223572 351650457 /nfs/dbraw/zinc/65/04/57/351650457.db2.gz RULRANJCPDQXOI-UHFFFAOYSA-N 0 0 212.655 3.421 10 0 BGAERN S=C1N=NC(C2=CCCCCC2)S1 ZINC000307227472 351670660 /nfs/dbraw/zinc/67/06/60/351670660.db2.gz DSBIXWHYWWXJKB-UHFFFAOYSA-N 0 0 212.343 3.174 10 0 BGAERN CC[C@@H](NO)c1cc(Br)ccc1F ZINC000307228504 372099569 /nfs/dbraw/zinc/09/95/69/372099569.db2.gz IKVVOBYOKXLWMG-SECBINFHSA-N 0 0 248.095 3.018 10 0 BGAERN Cc1cc(C)c(C(=O)C(C)(C)F)s1 ZINC000307229333 351678847 /nfs/dbraw/zinc/67/88/47/351678847.db2.gz MDJXZXMLJWVVAW-UHFFFAOYSA-N 0 0 200.278 3.296 10 0 BGAERN C/C=C/CNc1ccc(N)cc1Br ZINC000307229385 351679944 /nfs/dbraw/zinc/67/99/44/351679944.db2.gz ZOFQSMJHZAHEAK-NSCUHMNNSA-N 0 0 241.132 3.019 10 0 BGAERN CCCNc1cc(Cl)cnc1Br ZINC000307229562 353062348 /nfs/dbraw/zinc/06/23/48/353062348.db2.gz ZWQWSHASCNNHHJ-UHFFFAOYSA-N 0 0 249.539 3.319 10 0 BGAERN C[C@@H]1CS[C@H](c2ccsc2Cl)N1 ZINC000307230370 351680910 /nfs/dbraw/zinc/68/09/10/351680910.db2.gz BTAXHUBNENQPMF-SVGQVSJJSA-N 0 0 219.762 3.125 10 0 BGAERN C[C@H]1CS[C@@H](c2ccsc2Cl)N1 ZINC000307230388 351680860 /nfs/dbraw/zinc/68/08/60/351680860.db2.gz BTAXHUBNENQPMF-XNCJUZBTSA-N 0 0 219.762 3.125 10 0 BGAERN C[C@@H]1CS[C@@H](c2ccsc2Cl)N1 ZINC000307230408 351680942 /nfs/dbraw/zinc/68/09/42/351680942.db2.gz BTAXHUBNENQPMF-XRGYYRRGSA-N 0 0 219.762 3.125 10 0 BGAERN C[C@H]1CS[C@H](c2ccsc2Cl)N1 ZINC000307230424 351680968 /nfs/dbraw/zinc/68/09/68/351680968.db2.gz BTAXHUBNENQPMF-YLWLKBPMSA-N 0 0 219.762 3.125 10 0 BGAERN CSCc1cccc([Si](C)(C)C)c1 ZINC000307231110 351686705 /nfs/dbraw/zinc/68/67/05/351686705.db2.gz DEVCIZTUMSWFGS-UHFFFAOYSA-N 0 0 210.418 3.095 10 0 BGAERN Cc1ccccc1C(O)=C1CC(F)(F)C1 ZINC000307231943 351687199 /nfs/dbraw/zinc/68/71/99/351687199.db2.gz DLVYLLNVHISSBX-UHFFFAOYSA-N 0 0 210.223 3.223 10 0 BGAERN O=C(c1ccsn1)[C@H]1CC2CCC1CC2 ZINC000307233211 351698922 /nfs/dbraw/zinc/69/89/22/351698922.db2.gz QCZQIOKGKSOLBF-RTBKNWGFSA-N 0 0 221.325 3.152 10 0 BGAERN O=C(c1ccsn1)[C@@H]1CC2CCC1CC2 ZINC000307233214 351698887 /nfs/dbraw/zinc/69/88/87/351698887.db2.gz QCZQIOKGKSOLBF-UDNWOFFPSA-N 0 0 221.325 3.152 10 0 BGAERN Cc1cc(CC(=O)C2CC(F)(F)C2)cs1 ZINC000307233576 351702219 /nfs/dbraw/zinc/70/22/19/351702219.db2.gz FAKHQWCNHDERND-UHFFFAOYSA-N 0 0 230.279 3.213 10 0 BGAERN O=Cc1cc(Cl)ccc1-c1cscn1 ZINC000307234967 351708349 /nfs/dbraw/zinc/70/83/49/351708349.db2.gz FJACSWVWVOZSGL-UHFFFAOYSA-N 0 0 223.684 3.276 10 0 BGAERN CCC[C@@H](C)NC(=O)OCc1ccccc1 ZINC000307237428 351726597 /nfs/dbraw/zinc/72/65/97/351726597.db2.gz XFJRAKBOTBMADV-LLVKDONJSA-N 0 0 221.300 3.101 10 0 BGAERN Cc1cc(C(=O)C2CCCC2)cnc1C ZINC000307237693 351726637 /nfs/dbraw/zinc/72/66/37/351726637.db2.gz GWHJEFQJDKKQJM-UHFFFAOYSA-N 0 0 203.285 3.071 10 0 BGAERN Cc1nc(-c2cc(Cl)ccn2)cs1 ZINC000307238705 351727997 /nfs/dbraw/zinc/72/79/97/351727997.db2.gz HHTPOPWOSDATNF-UHFFFAOYSA-N 0 0 210.689 3.167 10 0 BGAERN CNc1nc(-c2csc(C)c2)cs1 ZINC000307241053 351746272 /nfs/dbraw/zinc/74/62/72/351746272.db2.gz QYUQCUNBGJJQCP-UHFFFAOYSA-N 0 0 210.327 3.222 10 0 BGAERN C[C@H](c1nc(Cl)ns1)C(C)(C)C ZINC000307241085 351746280 /nfs/dbraw/zinc/74/62/80/351746280.db2.gz HNMHGPXTEXLZLK-RXMQYKEDSA-N 0 0 204.726 3.341 10 0 BGAERN C[C@@H](c1nc(Cl)ns1)C(C)(C)C ZINC000307241087 351745938 /nfs/dbraw/zinc/74/59/38/351745938.db2.gz HNMHGPXTEXLZLK-YFKPBYRVSA-N 0 0 204.726 3.341 10 0 BGAERN Cc1ccc(C(=O)C(F)(F)Cl)c(F)c1 ZINC000307241756 353063078 /nfs/dbraw/zinc/06/30/78/353063078.db2.gz ICOQMKFZXABNNO-UHFFFAOYSA-N 0 0 222.593 3.148 10 0 BGAERN Cc1nc(-c2cc(O)ccc2C)cs1 ZINC000307243101 372102155 /nfs/dbraw/zinc/10/21/55/372102155.db2.gz JTYNFJWWEZDNDL-UHFFFAOYSA-N 0 0 205.282 3.133 10 0 BGAERN Clc1ncc(Br)c2c1CCCC2 ZINC000307244663 351750462 /nfs/dbraw/zinc/75/04/62/351750462.db2.gz LLQQCENFYKPBHW-UHFFFAOYSA-N 0 0 246.535 3.376 10 0 BGAERN Cc1sccc1-c1c[nH]c(=S)cn1 ZINC000307245246 351752552 /nfs/dbraw/zinc/75/25/52/351752552.db2.gz LZLMJHVAWZVXIG-UHFFFAOYSA-N 0 0 208.311 3.176 10 0 BGAERN Nc1ccc(-c2ccsc2Cl)nc1 ZINC000307247625 372102285 /nfs/dbraw/zinc/10/22/85/372102285.db2.gz DNOJLVWITVBUIH-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN Cc1nc(-c2ccc(N)c(Cl)c2)cs1 ZINC000307248500 351754349 /nfs/dbraw/zinc/75/43/49/351754349.db2.gz NGSNIOUSHHWFDT-UHFFFAOYSA-N 0 0 224.716 3.354 10 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351756096 /nfs/dbraw/zinc/75/60/96/351756096.db2.gz OOJOANYPVUDWQS-UHFFFAOYSA-N 0 0 203.257 3.205 10 0 BGAERN Cc1cc(C(O)=C2CC(F)(F)C2)cs1 ZINC000307249803 351755578 /nfs/dbraw/zinc/75/55/78/351755578.db2.gz OYDDKOZIMADBIJ-UHFFFAOYSA-N 0 0 216.252 3.285 10 0 BGAERN C[C@@H]1CCC(=O)[C@@H](CC2CC(F)(F)C2)C1 ZINC000307251642 351772218 /nfs/dbraw/zinc/77/22/18/351772218.db2.gz QPNDBTWMPMCLMY-PSASIEDQSA-N 0 0 216.271 3.427 10 0 BGAERN C[C@@H]1CCC(=O)[C@H](CC2CC(F)(F)C2)C1 ZINC000307251643 351772391 /nfs/dbraw/zinc/77/23/91/351772391.db2.gz QPNDBTWMPMCLMY-SCZZXKLOSA-N 0 0 216.271 3.427 10 0 BGAERN C[C@H]1CCC(=O)[C@@H](CC2CC(F)(F)C2)C1 ZINC000307251644 351772430 /nfs/dbraw/zinc/77/24/30/351772430.db2.gz QPNDBTWMPMCLMY-WCBMZHEXSA-N 0 0 216.271 3.427 10 0 BGAERN C[C@H]1CCC(=O)[C@H](CC2CC(F)(F)C2)C1 ZINC000307251645 351772166 /nfs/dbraw/zinc/77/21/66/351772166.db2.gz QPNDBTWMPMCLMY-WPRPVWTQSA-N 0 0 216.271 3.427 10 0 BGAERN F[C@@H]1CCCC[C@H]1Nc1csc(Cl)n1 ZINC000307251866 353063843 /nfs/dbraw/zinc/06/38/43/353063843.db2.gz QYAGIYMIIRZBGD-RNFRBKRXSA-N 0 0 234.727 3.489 10 0 BGAERN CC(C)(F)C(=O)c1cnc(C(F)(F)F)s1 ZINC000307252179 351769960 /nfs/dbraw/zinc/76/99/60/351769960.db2.gz RPZNSLKUZOOSRG-UHFFFAOYSA-N 0 0 241.209 3.093 10 0 BGAERN CCS[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000307252253 351770352 /nfs/dbraw/zinc/77/03/52/351770352.db2.gz RUFGWJQYCRBVOI-JTQLQIEISA-N 0 0 245.388 3.139 10 0 BGAERN CCS[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000307252254 351770345 /nfs/dbraw/zinc/77/03/45/351770345.db2.gz RUFGWJQYCRBVOI-SNVBAGLBSA-N 0 0 245.388 3.139 10 0 BGAERN CSC(C)(C)c1nc(C)cc(Cl)n1 ZINC000307252350 351771068 /nfs/dbraw/zinc/77/10/68/351771068.db2.gz RYTACWRSYMFQIN-UHFFFAOYSA-N 0 0 216.737 3.037 10 0 BGAERN Cc1nc(-c2cc(F)ccc2C=O)cs1 ZINC000307253085 351784153 /nfs/dbraw/zinc/78/41/53/351784153.db2.gz UNKJCALYISIDLY-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN Cc1ccc(C(=O)C(C)(F)F)c(F)c1F ZINC000307253363 351780337 /nfs/dbraw/zinc/78/03/37/351780337.db2.gz 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BGAERN C[C@H]1CCC[C@H](c2nc(Br)no2)C1 ZINC000307254236 351787916 /nfs/dbraw/zinc/78/79/16/351787916.db2.gz XFBNVWCHNVAHGA-BQBZGAKWSA-N 0 0 245.120 3.126 10 0 BGAERN C[C@H]1CCC[C@@H](c2nc(Br)no2)C1 ZINC000307254237 351788126 /nfs/dbraw/zinc/78/81/26/351788126.db2.gz XFBNVWCHNVAHGA-NKWVEPMBSA-N 0 0 245.120 3.126 10 0 BGAERN C[C@@H]1CCC[C@@H](c2nc(Br)no2)C1 ZINC000307254238 351787827 /nfs/dbraw/zinc/78/78/27/351787827.db2.gz XFBNVWCHNVAHGA-RNFRBKRXSA-N 0 0 245.120 3.126 10 0 BGAERN C[C@@H]1CCC[C@H](c2nc(Br)no2)C1 ZINC000307254239 351788179 /nfs/dbraw/zinc/78/81/79/351788179.db2.gz XFBNVWCHNVAHGA-RQJHMYQMSA-N 0 0 245.120 3.126 10 0 BGAERN Cc1nc(C(=O)C2(C)CCCC2)cs1 ZINC000307254242 351788740 /nfs/dbraw/zinc/78/87/40/351788740.db2.gz XFFCQIXGWOEWOK-UHFFFAOYSA-N 0 0 209.314 3.215 10 0 BGAERN Cc1ccccc1C(=O)C(F)(F)Br ZINC000307254709 351787249 /nfs/dbraw/zinc/78/72/49/351787249.db2.gz YGDOZRSQJZJHHE-UHFFFAOYSA-N 0 0 249.054 3.165 10 0 BGAERN O=C(c1cscn1)[C@H]1CC2CCC1CC2 ZINC000307254916 351789478 /nfs/dbraw/zinc/78/94/78/351789478.db2.gz YTHHYPCRPNDZBF-RTBKNWGFSA-N 0 0 221.325 3.152 10 0 BGAERN O=C(c1cscn1)[C@@H]1CC2CCC1CC2 ZINC000307254917 351789155 /nfs/dbraw/zinc/78/91/55/351789155.db2.gz YTHHYPCRPNDZBF-UDNWOFFPSA-N 0 0 221.325 3.152 10 0 BGAERN C[C@H]1CCCC[C@@H]1c1noc(Cl)n1 ZINC000307255206 353063716 /nfs/dbraw/zinc/06/37/16/353063716.db2.gz ZDZIYEGIRZFHPZ-BQBZGAKWSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@H]1CCCC[C@H]1c1noc(Cl)n1 ZINC000307255207 351791422 /nfs/dbraw/zinc/79/14/22/351791422.db2.gz ZDZIYEGIRZFHPZ-NKWVEPMBSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@@H]1CCCC[C@H]1c1noc(Cl)n1 ZINC000307255208 351791447 /nfs/dbraw/zinc/79/14/47/351791447.db2.gz ZDZIYEGIRZFHPZ-RNFRBKRXSA-N 0 0 200.669 3.017 10 0 BGAERN C[C@@H]1CCCC[C@@H]1c1noc(Cl)n1 ZINC000307255209 351791547 /nfs/dbraw/zinc/79/15/47/351791547.db2.gz ZDZIYEGIRZFHPZ-RQJHMYQMSA-N 0 0 200.669 3.017 10 0 BGAERN Cc1cc(C)c(C(=O)C(C)(F)F)s1 ZINC000307255237 351791623 /nfs/dbraw/zinc/79/16/23/351791623.db2.gz ZFFXKMMMPHCKLZ-UHFFFAOYSA-N 0 0 204.241 3.203 10 0 BGAERN C[C@@H]1CCCC[C@H]1c1ncc(C=O)s1 ZINC000307255793 351789963 /nfs/dbraw/zinc/78/99/63/351789963.db2.gz ZWPMGTADUAZYJJ-PSASIEDQSA-N 0 0 209.314 3.249 10 0 BGAERN C[C@@H]1CCCC[C@@H]1c1ncc(C=O)s1 ZINC000307255794 351790065 /nfs/dbraw/zinc/79/00/65/351790065.db2.gz ZWPMGTADUAZYJJ-SCZZXKLOSA-N 0 0 209.314 3.249 10 0 BGAERN C[C@H]1CCCC[C@H]1c1ncc(C=O)s1 ZINC000307255795 351790041 /nfs/dbraw/zinc/79/00/41/351790041.db2.gz ZWPMGTADUAZYJJ-WCBMZHEXSA-N 0 0 209.314 3.249 10 0 BGAERN C[C@H]1CCCC[C@@H]1c1ncc(C=O)s1 ZINC000307255796 351790100 /nfs/dbraw/zinc/79/01/00/351790100.db2.gz ZWPMGTADUAZYJJ-WPRPVWTQSA-N 0 0 209.314 3.249 10 0 BGAERN COc1c(C)nc(C(C)(C)SC)nc1Cl ZINC000307255841 351790067 /nfs/dbraw/zinc/79/00/67/351790067.db2.gz BIIUEAXKGIOGEM-UHFFFAOYSA-N 0 0 246.763 3.045 10 0 BGAERN Cc1nc(-c2ccc(C=O)cc2C)cs1 ZINC000307256089 351790803 /nfs/dbraw/zinc/79/08/03/351790803.db2.gz DNTFEIYQXKVFPV-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN c1ccc(CNc2nc3c(s2)CCC3)cc1 ZINC000307258073 351793969 /nfs/dbraw/zinc/79/39/69/351793969.db2.gz JCYQGHGFRKPYJR-UHFFFAOYSA-N 0 0 230.336 3.244 10 0 BGAERN CSC1([C@H](O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000307259654 351798506 /nfs/dbraw/zinc/79/85/06/351798506.db2.gz KTOCXPPTUCWLRM-GARJFASQSA-N 0 0 214.374 3.069 10 0 BGAERN CSC1([C@H](O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000307259655 351798345 /nfs/dbraw/zinc/79/83/45/351798345.db2.gz KTOCXPPTUCWLRM-GMTAPVOTSA-N 0 0 214.374 3.069 10 0 BGAERN CSC1([C@H](O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000307259656 351798472 /nfs/dbraw/zinc/79/84/72/351798472.db2.gz KTOCXPPTUCWLRM-HBNTYKKESA-N 0 0 214.374 3.069 10 0 BGAERN CSC1([C@H](O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000307259657 351798246 /nfs/dbraw/zinc/79/82/46/351798246.db2.gz KTOCXPPTUCWLRM-OUAUKWLOSA-N 0 0 214.374 3.069 10 0 BGAERN Clc1ccsc1[C@H]1[NH2+]CC12CCC2 ZINC000307260486 351800336 /nfs/dbraw/zinc/80/03/36/351800336.db2.gz SQIJHRKRCRKXQV-SECBINFHSA-N 0 0 213.733 3.216 10 0 BGAERN Clc1ccsc1[C@@H]1[NH2+]CC12CCC2 ZINC000307260487 351800263 /nfs/dbraw/zinc/80/02/63/351800263.db2.gz SQIJHRKRCRKXQV-VIFPVBQESA-N 0 0 213.733 3.216 10 0 BGAERN Fc1cc(Cl)ccc1NC1CSC1 ZINC000307262093 345315217 /nfs/dbraw/zinc/31/52/17/345315217.db2.gz RDDMPXCXWSKKJV-UHFFFAOYSA-N 0 0 217.696 3.006 10 0 BGAERN Cc1c(F)c(Cl)ccc1OC(F)F ZINC000307263248 351808508 /nfs/dbraw/zinc/80/85/08/351808508.db2.gz BAKRQOVMWWBANW-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN F[C@@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000307264152 351813200 /nfs/dbraw/zinc/81/32/00/351813200.db2.gz ZYCYUPNKRIBAOL-RITPCOANSA-N 0 0 220.700 3.099 10 0 BGAERN FC(F)(F)c1cc(=S)c(Cl)c[nH]1 ZINC000307266224 351814720 /nfs/dbraw/zinc/81/47/20/351814720.db2.gz GMTQCXPIFHWOIA-UHFFFAOYSA-N 0 0 213.611 3.043 10 0 BGAERN CC1(CC(=O)[C@H]2CCCCS2)CCC1 ZINC000307271015 351823661 /nfs/dbraw/zinc/82/36/61/351823661.db2.gz BDUDGMKNJIHTFO-LLVKDONJSA-N 0 0 212.358 3.422 10 0 BGAERN CC1(CC(=O)[C@@H]2CCCCS2)CCC1 ZINC000307271016 351823596 /nfs/dbraw/zinc/82/35/96/351823596.db2.gz BDUDGMKNJIHTFO-NSHDSACASA-N 0 0 212.358 3.422 10 0 BGAERN Cc1cc(-c2cc(C)ccc2N)sn1 ZINC000307271678 635985524 /nfs/dbraw/zinc/98/55/24/635985524.db2.gz RYNLWHBERNUNFA-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN Nc1cc(F)c(Cl)c(C(F)(F)F)c1 ZINC000307272565 351825177 /nfs/dbraw/zinc/82/51/77/351825177.db2.gz FUYSBOGBGTUHBU-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN O=Cc1ccn(Cc2sccc2Cl)c1 ZINC000307273764 351828288 /nfs/dbraw/zinc/82/82/88/351828288.db2.gz KOESIYNKSREQQS-UHFFFAOYSA-N 0 0 225.700 3.064 10 0 BGAERN CC1(CC(=O)[C@H]2CCSC2)CCCC1 ZINC000307273812 353065489 /nfs/dbraw/zinc/06/54/89/353065489.db2.gz XFJGYZQSBBABIC-JTQLQIEISA-N 0 0 212.358 3.279 10 0 BGAERN CC1(CC(=O)[C@@H]2CCSC2)CCCC1 ZINC000307273813 351828481 /nfs/dbraw/zinc/82/84/81/351828481.db2.gz XFJGYZQSBBABIC-SNVBAGLBSA-N 0 0 212.358 3.279 10 0 BGAERN Cc1cc(OC(F)F)c(F)cc1Cl ZINC000307274116 386759279 /nfs/dbraw/zinc/75/92/79/386759279.db2.gz LPVCNOFLPMSNAJ-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN Clc1nc2c(cccc2Br)o1 ZINC000307274202 345358402 /nfs/dbraw/zinc/35/84/02/345358402.db2.gz YMMGJUISPZSGBK-UHFFFAOYSA-N 0 0 232.464 3.244 10 0 BGAERN Cc1ccc(C(F)(F)F)c(N)c1Cl ZINC000307274366 351830308 /nfs/dbraw/zinc/83/03/08/351830308.db2.gz NASSAZAUNONNRI-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN CCOc1ccc(F)c(C(F)F)c1F ZINC000307274536 351830230 /nfs/dbraw/zinc/83/02/30/351830230.db2.gz NLLCFWSUVCBGGS-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN CSC(C)(C)[C@H](O)c1cccc(C)c1 ZINC000307275975 351831456 /nfs/dbraw/zinc/83/14/56/351831456.db2.gz TYLXWXKZFMFFAU-LLVKDONJSA-N 0 0 210.342 3.170 10 0 BGAERN CSC(C)(C)[C@@H](O)c1cccc(C)c1 ZINC000307275976 351831882 /nfs/dbraw/zinc/83/18/82/351831882.db2.gz TYLXWXKZFMFFAU-NSHDSACASA-N 0 0 210.342 3.170 10 0 BGAERN CSc1ccc(OC(F)F)c(F)c1 ZINC000307276055 351831831 /nfs/dbraw/zinc/83/18/31/351831831.db2.gz UCXACIPBCQUNDL-UHFFFAOYSA-N 0 0 208.204 3.149 10 0 BGAERN CSc1cc(F)ccc1OC(F)F ZINC000307276198 351831817 /nfs/dbraw/zinc/83/18/17/351831817.db2.gz UZTITNWBSBVEGM-UHFFFAOYSA-N 0 0 208.204 3.149 10 0 BGAERN C[C@@H]1CCNc2cc(F)c(F)c(F)c21 ZINC000307280995 351845181 /nfs/dbraw/zinc/84/51/81/351845181.db2.gz JRCHKIYQIGYRLA-RXMQYKEDSA-N 0 0 201.191 3.023 10 0 BGAERN C[C@H]1CCNc2cc(F)c(F)c(F)c21 ZINC000307280998 351845051 /nfs/dbraw/zinc/84/50/51/351845051.db2.gz JRCHKIYQIGYRLA-YFKPBYRVSA-N 0 0 201.191 3.023 10 0 BGAERN CNc1nc(CSC(C)(C)C)cs1 ZINC000307281597 351844268 /nfs/dbraw/zinc/84/42/68/351844268.db2.gz HNMFFPGMPXEGRA-UHFFFAOYSA-N 0 0 216.375 3.217 10 0 BGAERN Cc1cccc(C)c1C(=O)C(F)(F)Cl ZINC000307283131 351847908 /nfs/dbraw/zinc/84/79/08/351847908.db2.gz IAHRZEHQQWOMGE-UHFFFAOYSA-N 0 0 218.630 3.318 10 0 BGAERN FC1(F)CC(Nc2csc(Cl)n2)C1 ZINC000307284219 351846510 /nfs/dbraw/zinc/84/65/10/351846510.db2.gz JFVFNQOSSIVTRL-UHFFFAOYSA-N 0 0 224.663 3.006 10 0 BGAERN Nc1ccc(Cl)cc1-c1cscn1 ZINC000307287885 351850943 /nfs/dbraw/zinc/85/09/43/351850943.db2.gz WBXBVWJPENRYQC-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN Cc1nc(Cl)ncc1-c1cccc(F)c1 ZINC000307288079 351853941 /nfs/dbraw/zinc/85/39/41/351853941.db2.gz WLNABXKJNQWSFH-UHFFFAOYSA-N 0 0 222.650 3.245 10 0 BGAERN CCC(C)(C)Oc1cc(Cl)nc(Cl)n1 ZINC000307288145 351854515 /nfs/dbraw/zinc/85/45/15/351854515.db2.gz ATSIYJMVSUJLFJ-UHFFFAOYSA-N 0 0 235.114 3.351 10 0 BGAERN O=C1CC(c2c(Cl)cccc2Cl)C1 ZINC000307289225 351855737 /nfs/dbraw/zinc/85/57/37/351855737.db2.gz FRBKBWXLPLQQOJ-UHFFFAOYSA-N 0 0 215.079 3.440 10 0 BGAERN Cc1ccc(F)c(-c2cnc(C=O)s2)c1 ZINC000307289267 351855824 /nfs/dbraw/zinc/85/58/24/351855824.db2.gz FZCMBRLHEFGJBZ-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN N[C@H](c1csc(Cl)c1)c1ccco1 ZINC000307289604 351853629 /nfs/dbraw/zinc/85/36/29/351853629.db2.gz YWEGRYPHHRKEDL-SECBINFHSA-N 0 0 213.689 3.043 10 0 BGAERN N[C@@H](c1csc(Cl)c1)c1ccco1 ZINC000307289605 351853032 /nfs/dbraw/zinc/85/30/32/351853032.db2.gz YWEGRYPHHRKEDL-VIFPVBQESA-N 0 0 213.689 3.043 10 0 BGAERN COc1cccc(Cl)c1C(=O)[C@@H]1C[C@H]1C ZINC000307290121 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/nfs/dbraw/zinc/04/89/52/352048952.db2.gz CVTVPOJPBZQNJD-UHFFFAOYSA-N 0 0 227.720 3.165 10 0 BGAERN Cc1cc(NC2CC2)c(F)cc1Br ZINC000307335010 352054094 /nfs/dbraw/zinc/05/40/94/352054094.db2.gz RJSQRKRRAGIFIT-UHFFFAOYSA-N 0 0 244.107 3.471 10 0 BGAERN C/C=C/CNc1cccc(Br)c1N ZINC000307337234 352056568 /nfs/dbraw/zinc/05/65/68/352056568.db2.gz RSXXBIKEJMTTJI-NSCUHMNNSA-N 0 0 241.132 3.019 10 0 BGAERN CC(C)(C)OC(=O)N1C2=CC=C[C@@H]1C=CC2 ZINC000307337480 352056522 /nfs/dbraw/zinc/05/65/22/352056522.db2.gz OWSLKYNPZUDDOL-SNVBAGLBSA-N 0 0 219.284 3.006 10 0 BGAERN Clc1nc2ccsc2c(NCC2CC2)n1 ZINC000307339637 352081208 /nfs/dbraw/zinc/08/12/08/352081208.db2.gz SDOVSZQLLSTTBR-UHFFFAOYSA-N 0 0 239.731 3.167 10 0 BGAERN Cc1nc(C(=O)c2cc(C)c(C)s2)cs1 ZINC000307342356 352091225 /nfs/dbraw/zinc/09/12/25/352091225.db2.gz HLMONVZVBDBZNU-UHFFFAOYSA-N 0 0 237.349 3.361 10 0 BGAERN O=C(c1ccsc1Cl)C1CCC1 ZINC000307343181 352090153 /nfs/dbraw/zinc/09/01/53/352090153.db2.gz LEQGORUMKWSQBQ-UHFFFAOYSA-N 0 0 200.690 3.384 10 0 BGAERN Cc1c(Cl)c(N)ccc1C(F)(F)F ZINC000307343412 352090252 /nfs/dbraw/zinc/09/02/52/352090252.db2.gz XDYRQMDYFBUEJM-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN Nc1cc(Cl)cc(F)c1C(F)(F)F ZINC000307343949 352090756 /nfs/dbraw/zinc/09/07/56/352090756.db2.gz YFUXDRYQIIKLAY-UHFFFAOYSA-N 0 0 213.561 3.080 10 0 BGAERN Cc1csc2c1[nH]cc(Br)c2=O ZINC000307344977 352093163 /nfs/dbraw/zinc/09/31/63/352093163.db2.gz VWBVQFVPPCTXLH-UHFFFAOYSA-N 0 0 244.113 3.073 10 0 BGAERN Cc1cnccc1C(=O)CC1(C)CCC1 ZINC000307345883 352095777 /nfs/dbraw/zinc/09/57/77/352095777.db2.gz AGCDSYDEWUDSEZ-UHFFFAOYSA-N 0 0 203.285 3.153 10 0 BGAERN CC(=O)c1cc(C(F)F)c(F)cc1F ZINC000307346677 352101496 /nfs/dbraw/zinc/10/14/96/352101496.db2.gz WXLRGRLJRAJFFW-UHFFFAOYSA-N 0 0 206.138 3.105 10 0 BGAERN CCc1cccc(OC(F)(F)F)c1F ZINC000307346895 352101838 /nfs/dbraw/zinc/10/18/38/352101838.db2.gz PPSSWXISTRLXDP-UHFFFAOYSA-N 0 0 208.154 3.287 10 0 BGAERN CSc1cc(C)c(C(F)(F)F)cc1N ZINC000307349790 386128347 /nfs/dbraw/zinc/12/83/47/386128347.db2.gz AGIQBWQCSDZSDU-UHFFFAOYSA-N 0 0 221.247 3.318 10 0 BGAERN C[C@@H](c1noc(Cl)n1)C1CCCCC1 ZINC000307350154 386131513 /nfs/dbraw/zinc/13/15/13/386131513.db2.gz HMEXWEIUPTVVTA-SSDOTTSWSA-N 0 0 214.696 3.407 10 0 BGAERN C[C@H](c1noc(Cl)n1)C1CCCCC1 ZINC000307350156 386131553 /nfs/dbraw/zinc/13/15/53/386131553.db2.gz HMEXWEIUPTVVTA-ZETCQYMHSA-N 0 0 214.696 3.407 10 0 BGAERN N[C@H](c1cscc1C(F)(F)F)C(F)F ZINC000307350197 386131384 /nfs/dbraw/zinc/13/13/84/386131384.db2.gz HPYAESYAYFHXIY-RXMQYKEDSA-N 0 0 231.189 3.032 10 0 BGAERN N[C@@H](c1cscc1C(F)(F)F)C(F)F ZINC000307350199 386132491 /nfs/dbraw/zinc/13/24/91/386132491.db2.gz HPYAESYAYFHXIY-YFKPBYRVSA-N 0 0 231.189 3.032 10 0 BGAERN COc1ccc(C)c(C)c1C(F)(F)F ZINC000307354065 386616480 /nfs/dbraw/zinc/61/64/80/386616480.db2.gz PQYMBXHSXWOEEW-UHFFFAOYSA-N 0 0 204.191 3.331 10 0 BGAERN CCC(CC)Nc1cc(Cl)nc(Cl)n1 ZINC000307354637 352310488 /nfs/dbraw/zinc/31/04/88/352310488.db2.gz XOIXTZDCBHQLIK-UHFFFAOYSA-N 0 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240.583 3.456 10 0 BGAERN Cc1nc(-c2cc(C)ccc2N)cs1 ZINC000307366723 386191678 /nfs/dbraw/zinc/19/16/78/386191678.db2.gz LFGOZENBKZFFGJ-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CC1(Cn2ccc(Br)n2)CCCC1 ZINC000307367817 352452706 /nfs/dbraw/zinc/45/27/06/352452706.db2.gz MMJGFXIOGRPANV-UHFFFAOYSA-N 0 0 243.148 3.226 10 0 BGAERN CC(=O)c1cnc(-c2csc(C)c2)s1 ZINC000307368215 386195595 /nfs/dbraw/zinc/19/55/95/386195595.db2.gz MZBDSQXOXYMWPP-UHFFFAOYSA-N 0 0 223.322 3.383 10 0 BGAERN Clc1cnc(Br)c(NC2CC2)c1 ZINC000307369422 352458637 /nfs/dbraw/zinc/45/86/37/352458637.db2.gz QWSHSYTVHIRASR-UHFFFAOYSA-N 0 0 247.523 3.072 10 0 BGAERN O=C(c1csc(Cl)c1)C1CCC1 ZINC000307370151 352457763 /nfs/dbraw/zinc/45/77/63/352457763.db2.gz OOLZCMSMEHRPMD-UHFFFAOYSA-N 0 0 200.690 3.384 10 0 BGAERN O=c1cc[nH]c(-c2ccsc2Cl)c1 ZINC000307370312 352458344 /nfs/dbraw/zinc/45/83/44/352458344.db2.gz SAKRUQAZDKGCCI-UHFFFAOYSA-N 0 0 211.673 3.169 10 0 BGAERN Cc1c(F)cccc1C(=O)NCc1ccccc1 ZINC000307371358 352469011 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352546634 /nfs/dbraw/zinc/54/66/34/352546634.db2.gz RBLQHMXCWPBITO-RNFRBKRXSA-N 0 0 245.120 3.126 10 0 BGAERN C[C@@H]1CCC[C@H](c2nnc(Br)o2)C1 ZINC000307389756 352546543 /nfs/dbraw/zinc/54/65/43/352546543.db2.gz RBLQHMXCWPBITO-RQJHMYQMSA-N 0 0 245.120 3.126 10 0 BGAERN CC(C)(F)C(=O)C[C@@H]1Cc2ccccc21 ZINC000307390228 352553710 /nfs/dbraw/zinc/55/37/10/352553710.db2.gz RXQWNPYINZFFSW-JTQLQIEISA-N 0 0 206.260 3.034 10 0 BGAERN CC(C)(F)C(=O)C[C@H]1Cc2ccccc21 ZINC000307390229 352554010 /nfs/dbraw/zinc/55/40/10/352554010.db2.gz RXQWNPYINZFFSW-SNVBAGLBSA-N 0 0 206.260 3.034 10 0 BGAERN C[C@@H]1C[C@H]1[NH2+]Cc1ccsc1Br ZINC000307392347 352569090 /nfs/dbraw/zinc/56/90/90/352569090.db2.gz YHMNKJGDIASSEW-HTRCEHHLSA-N 0 0 246.173 3.009 10 0 BGAERN C[C@H]1C[C@H]1[NH2+]Cc1ccsc1Br ZINC000307392348 352569096 /nfs/dbraw/zinc/56/90/96/352569096.db2.gz YHMNKJGDIASSEW-POYBYMJQSA-N 0 0 246.173 3.009 10 0 BGAERN C[C@@H]1C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000307392349 352569190 /nfs/dbraw/zinc/56/91/90/352569190.db2.gz YHMNKJGDIASSEW-SVRRBLITSA-N 0 0 246.173 3.009 10 0 BGAERN C[C@H]1C[C@@H]1[NH2+]Cc1ccsc1Br ZINC000307392350 352568992 /nfs/dbraw/zinc/56/89/92/352568992.db2.gz YHMNKJGDIASSEW-XPUUQOCRSA-N 0 0 246.173 3.009 10 0 BGAERN Cc1cc(C2=NC(=S)SC2)cs1 ZINC000307393024 352569072 /nfs/dbraw/zinc/56/90/72/352569072.db2.gz LBYBPRVREKEADZ-UHFFFAOYSA-N 0 0 213.352 3.469 10 0 BGAERN Cc1ccc(Cl)c(N)c1C(F)(F)F ZINC000307393895 352568411 /nfs/dbraw/zinc/56/84/11/352568411.db2.gz CFGPPCCEDHRPPI-UHFFFAOYSA-N 0 0 209.598 3.249 10 0 BGAERN CC(=O)c1ccccc1-c1cc(C)ns1 ZINC000307393987 352569248 /nfs/dbraw/zinc/56/92/48/352569248.db2.gz CICMNXBREDZJIJ-UHFFFAOYSA-N 0 0 217.293 3.321 10 0 BGAERN CC(C)C(=O)C[C@H]1CCCCC1(F)F ZINC000307394661 353072689 /nfs/dbraw/zinc/07/26/89/353072689.db2.gz MPVHJUBXMCDAPR-SECBINFHSA-N 0 0 204.260 3.427 10 0 BGAERN CC(C)C(=O)C[C@@H]1CCCCC1(F)F ZINC000307394662 352568878 /nfs/dbraw/zinc/56/88/78/352568878.db2.gz MPVHJUBXMCDAPR-VIFPVBQESA-N 0 0 204.260 3.427 10 0 BGAERN Cc1cc(F)c(-c2cscn2)cc1F ZINC000307397217 398160538 /nfs/dbraw/zinc/16/05/38/398160538.db2.gz VBTYUVMIMROIRX-UHFFFAOYSA-N 0 0 211.236 3.397 10 0 BGAERN S=c1[nH]cc([C@@H]2CC3CCC2CC3)[nH]1 ZINC000307397981 352570801 /nfs/dbraw/zinc/57/08/01/352570801.db2.gz RZOPHZSHQGFEFK-AMDVSUOASA-N 0 0 208.330 3.366 10 0 BGAERN S=c1[nH]cc([C@H]2CC3CCC2CC3)[nH]1 ZINC000307397982 352570798 /nfs/dbraw/zinc/57/07/98/352570798.db2.gz RZOPHZSHQGFEFK-HACHORDNSA-N 0 0 208.330 3.366 10 0 BGAERN CC1(C)C[C@H]1C(=O)C[C@H]1CCCC1(F)F ZINC000307398687 352571402 /nfs/dbraw/zinc/57/14/02/352571402.db2.gz UPKSHXMBNPVPNW-BDAKNGLRSA-N 0 0 216.271 3.427 10 0 BGAERN CC1(C)C[C@@H]1C(=O)C[C@@H]1CCCC1(F)F ZINC000307398688 352571538 /nfs/dbraw/zinc/57/15/38/352571538.db2.gz UPKSHXMBNPVPNW-DTWKUNHWSA-N 0 0 216.271 3.427 10 0 BGAERN CC1(C)C[C@H]1C(=O)C[C@@H]1CCCC1(F)F ZINC000307398689 352571243 /nfs/dbraw/zinc/57/12/43/352571243.db2.gz UPKSHXMBNPVPNW-IUCAKERBSA-N 0 0 216.271 3.427 10 0 BGAERN CC1(C)C[C@@H]1C(=O)C[C@H]1CCCC1(F)F ZINC000307398690 352571465 /nfs/dbraw/zinc/57/14/65/352571465.db2.gz UPKSHXMBNPVPNW-RKDXNWHRSA-N 0 0 216.271 3.427 10 0 BGAERN Cc1cc(CNc2nccnc2Cl)cs1 ZINC000307399090 352571305 /nfs/dbraw/zinc/57/13/05/352571305.db2.gz VGKVMIGMRJJDGU-UHFFFAOYSA-N 0 0 239.731 3.112 10 0 BGAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@@H](C)[C@@H]1C ZINC000307399427 352572292 /nfs/dbraw/zinc/57/22/92/352572292.db2.gz WOZORHMQECJORQ-DFAYQTQMSA-N 0 0 205.301 3.134 10 0 BGAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@H](C)[C@@H]1C ZINC000307399428 352572295 /nfs/dbraw/zinc/57/22/95/352572295.db2.gz WOZORHMQECJORQ-GMOODISLSA-N 0 0 205.301 3.134 10 0 BGAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@H](C)[C@H]1C ZINC000307399429 352572129 /nfs/dbraw/zinc/57/21/29/352572129.db2.gz WOZORHMQECJORQ-IYYTYJHQSA-N 0 0 205.301 3.134 10 0 BGAERN Cc1cc(C=O)c(C)n1[C@@H]1C[C@@H](C)[C@H]1C ZINC000307399430 352572164 /nfs/dbraw/zinc/57/21/64/352572164.db2.gz WOZORHMQECJORQ-ZDSQKVDBSA-N 0 0 205.301 3.134 10 0 BGAERN Cc1cc(-c2nnc(Cl)s2)cs1 ZINC000307399626 352572153 /nfs/dbraw/zinc/57/21/53/352572153.db2.gz XNTOILZEVGJUCA-UHFFFAOYSA-N 0 0 216.718 3.228 10 0 BGAERN OC1(C[C@H]2CCCC2(F)F)CCCC1 ZINC000307399749 352572050 /nfs/dbraw/zinc/57/20/50/352572050.db2.gz XRHIVHBGHINTMQ-SECBINFHSA-N 0 0 204.260 3.117 10 0 BGAERN OC1(C[C@@H]2CCCC2(F)F)CCCC1 ZINC000307399750 352571967 /nfs/dbraw/zinc/57/19/67/352571967.db2.gz XRHIVHBGHINTMQ-VIFPVBQESA-N 0 0 204.260 3.117 10 0 BGAERN Cc1cc(F)c(Cl)cc1OC(F)F ZINC000307400813 352578218 /nfs/dbraw/zinc/57/82/18/352578218.db2.gz IQKZBXFCSKULPJ-UHFFFAOYSA-N 0 0 210.582 3.389 10 0 BGAERN CSC(C)(C)c1nc(Cl)cc(Cl)n1 ZINC000307403416 352577646 /nfs/dbraw/zinc/57/76/46/352577646.db2.gz DUJFFFDBRSUBIB-UHFFFAOYSA-N 0 0 237.155 3.382 10 0 BGAERN C[C@@H]1CC[C@H]1Nc1cccc(Br)n1 ZINC000307405775 352581212 /nfs/dbraw/zinc/58/12/12/352581212.db2.gz MBTNRHWOOWOHNC-HTQZYQBOSA-N 0 0 241.132 3.055 10 0 BGAERN C[C@H]1CC[C@H]1Nc1cccc(Br)n1 ZINC000307405778 352581367 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/nfs/dbraw/zinc/73/76/96/352737696.db2.gz AIXHRPXJQAOGAI-UHFFFAOYSA-N 0 0 208.311 3.176 10 0 BGAERN Nc1cc(CC2CC2)sc1Br ZINC000307651442 352741606 /nfs/dbraw/zinc/74/16/06/352741606.db2.gz LYWNWDJFJGBARL-UHFFFAOYSA-N 0 0 232.146 3.045 10 0 BGAERN Cc1cc(-c2coc(Br)n2)cs1 ZINC000307651543 352741609 /nfs/dbraw/zinc/74/16/09/352741609.db2.gz RWHXSVMKVAKYLD-UHFFFAOYSA-N 0 0 244.113 3.474 10 0 BGAERN CCOc1cc(F)c(C(F)F)cc1F ZINC000307653630 352741651 /nfs/dbraw/zinc/74/16/51/352741651.db2.gz PTQMXHVBXRWCHH-UHFFFAOYSA-N 0 0 208.154 3.301 10 0 BGAERN CC1(COc2ccc(F)nc2)CCCC1 ZINC000307656354 352744479 /nfs/dbraw/zinc/74/44/79/352744479.db2.gz YLWQQMOSWXOSST-UHFFFAOYSA-N 0 0 209.264 3.180 10 0 BGAERN CSC1(CNc2csc(Cl)n2)CC1 ZINC000307657224 352742820 /nfs/dbraw/zinc/74/28/20/352742820.db2.gz ZVJWCRTWGPDAQB-UHFFFAOYSA-N 0 0 234.777 3.104 10 0 BGAERN CCC[C@](C)(CO)CCOCc1ccccc1 ZINC000307666231 352748182 /nfs/dbraw/zinc/74/81/82/352748182.db2.gz MPUAZHDKKVYIPN-HNNXBMFYSA-N 0 0 236.355 3.392 10 0 BGAERN CCC[C@@](C)(CO)CCOCc1ccccc1 ZINC000307666232 352748203 /nfs/dbraw/zinc/74/82/03/352748203.db2.gz MPUAZHDKKVYIPN-OAHLLOKOSA-N 0 0 236.355 3.392 10 0 BGAERN Cc1cc(OC(F)(F)F)cc(F)c1C ZINC000307671967 385974000 /nfs/dbraw/zinc/97/40/00/385974000.db2.gz VRHPTYGWBXCNER-UHFFFAOYSA-N 0 0 208.154 3.341 10 0 BGAERN CC1(C)C[C@H]1Nc1ncc(Br)s1 ZINC000307677181 352755041 /nfs/dbraw/zinc/75/50/41/352755041.db2.gz INIJWEPWWJEBSH-RXMQYKEDSA-N 0 0 247.161 3.116 10 0 BGAERN CC1(C)C[C@@H]1Nc1ncc(Br)s1 ZINC000307677182 352755218 /nfs/dbraw/zinc/75/52/18/352755218.db2.gz INIJWEPWWJEBSH-YFKPBYRVSA-N 0 0 247.161 3.116 10 0 BGAERN CC(C)(C(=O)c1ccns1)C1CCC1 ZINC000307680601 352756542 /nfs/dbraw/zinc/75/65/42/352756542.db2.gz UYDIBXNDJWLZOD-UHFFFAOYSA-N 0 0 209.314 3.152 10 0 BGAERN CC(C)c1nc2c(s1)[C@@H](C)O[C@H](C)C2 ZINC000307681021 352773970 /nfs/dbraw/zinc/77/39/70/352773970.db2.gz VVWGYVXGVWCFDV-HTQZYQBOSA-N 0 0 211.330 3.289 10 0 BGAERN CC(C)c1nc2c(s1)[C@@H](C)O[C@@H](C)C2 ZINC000307681022 352774144 /nfs/dbraw/zinc/77/41/44/352774144.db2.gz VVWGYVXGVWCFDV-JGVFFNPUSA-N 0 0 211.330 3.289 10 0 BGAERN CC(C)c1nc2c(s1)[C@H](C)O[C@H](C)C2 ZINC000307681023 352774026 /nfs/dbraw/zinc/77/40/26/352774026.db2.gz VVWGYVXGVWCFDV-SFYZADRCSA-N 0 0 211.330 3.289 10 0 BGAERN CC(C)c1nc2c(s1)[C@H](C)O[C@@H](C)C2 ZINC000307681024 352775526 /nfs/dbraw/zinc/77/55/26/352775526.db2.gz VVWGYVXGVWCFDV-YUMQZZPRSA-N 0 0 211.330 3.289 10 0 BGAERN CC[C@](C)(CO)SCOCc1ccccc1 ZINC000307682365 352825468 /nfs/dbraw/zinc/82/54/68/352825468.db2.gz RHMPZNXWBVNDFG-CYBMUJFWSA-N 0 0 240.368 3.055 10 0 BGAERN CC[C@@](C)(CO)SCOCc1ccccc1 ZINC000307682366 352825096 /nfs/dbraw/zinc/82/50/96/352825096.db2.gz RHMPZNXWBVNDFG-ZDUSSCGKSA-N 0 0 240.368 3.055 10 0 BGAERN CCOc1c(Cl)c(F)nc(F)c1Cl ZINC000307683992 352860341 /nfs/dbraw/zinc/86/03/41/352860341.db2.gz ICZCWBGLYDAENR-UHFFFAOYSA-N 0 0 228.025 3.065 10 0 BGAERN CC1(C)CCC[C@H]1n1ccc(Br)n1 ZINC000307685696 353093115 /nfs/dbraw/zinc/09/31/15/353093115.db2.gz ZLOVRBUSLLIJHA-MRVPVSSYSA-N 0 0 243.148 3.397 10 0 BGAERN CC1(C)CCC[C@@H]1n1ccc(Br)n1 ZINC000307685697 352844578 /nfs/dbraw/zinc/84/45/78/352844578.db2.gz ZLOVRBUSLLIJHA-QMMMGPOBSA-N 0 0 243.148 3.397 10 0 BGAERN Cc1nc(C(=O)C2C(C)(C)C2(C)C)cs1 ZINC000307686130 352858678 /nfs/dbraw/zinc/85/86/78/352858678.db2.gz AZBBFHUJXDPMGP-UHFFFAOYSA-N 0 0 223.341 3.316 10 0 BGAERN Cc1c(N)c(Cl)sc1CC(C)C ZINC000307687667 352920162 /nfs/dbraw/zinc/92/01/62/352920162.db2.gz FBWFPBJHONGXFV-UHFFFAOYSA-N 0 0 203.738 3.491 10 0 BGAERN O[C@@H](CCCCOCc1ccccc1)C1CC1 ZINC000307688557 352921005 /nfs/dbraw/zinc/92/10/05/352921005.db2.gz HPCTYVJDXAOGKK-HNNXBMFYSA-N 0 0 234.339 3.144 10 0 BGAERN O[C@H](CCCCOCc1ccccc1)C1CC1 ZINC000307688559 352921094 /nfs/dbraw/zinc/92/10/94/352921094.db2.gz HPCTYVJDXAOGKK-OAHLLOKOSA-N 0 0 234.339 3.144 10 0 BGAERN Cc1c(F)cccc1-c1cnc(C=O)s1 ZINC000307688736 352921981 /nfs/dbraw/zinc/92/19/81/352921981.db2.gz FWCTZIIKHGHMFP-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN C[C@@H]1CCCN(c2csc(Cl)n2)C1 ZINC000307690145 398196700 /nfs/dbraw/zinc/19/67/00/398196700.db2.gz OFBLMESIKUWCJE-SSDOTTSWSA-N 0 0 216.737 3.033 10 0 BGAERN CC(C)(C)C(C)(C)c1nc(Br)no1 ZINC000307691794 372137561 /nfs/dbraw/zinc/13/75/61/372137561.db2.gz QJHCNXOTEUPGFJ-UHFFFAOYSA-N 0 0 247.136 3.156 10 0 BGAERN O=C1CSC(c2c(F)cccc2Cl)=N1 ZINC000307695218 352971100 /nfs/dbraw/zinc/97/11/00/352971100.db2.gz ZWJDXYUNRDSVNQ-UHFFFAOYSA-N 0 0 229.663 3.308 10 0 BGAERN Cc1ccnc(C)c1NC(=O)OC(C)(C)C ZINC000307702525 353007429 /nfs/dbraw/zinc/00/74/29/353007429.db2.gz UKNUEUAZJJWGCC-UHFFFAOYSA-N 0 0 222.288 3.045 10 0 BGAERN CCOc1c(F)ccc(F)c1SC ZINC000307703283 353037221 /nfs/dbraw/zinc/03/72/21/353037221.db2.gz VMUMMYIPKYRGQN-UHFFFAOYSA-N 0 0 204.241 3.085 10 0 BGAERN CC(C)(C)Nc1cccc(Br)c1N ZINC000307703649 353094905 /nfs/dbraw/zinc/09/49/05/353094905.db2.gz RXZFNOREWDERPC-UHFFFAOYSA-N 0 0 243.148 3.242 10 0 BGAERN Fc1ccsc1-c1nc(Cl)ns1 ZINC000307707265 353094842 /nfs/dbraw/zinc/09/48/42/353094842.db2.gz YXNZJTVPTMYJOL-UHFFFAOYSA-N 0 0 220.681 3.059 10 0 BGAERN C[C@@H]1SCC[C@@]1(O)CC1(C)CCCC1 ZINC000307707868 353096953 /nfs/dbraw/zinc/09/69/53/353096953.db2.gz ZXUVPVXGDLCPJP-CMPLNLGQSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@@H]1SCC[C@]1(O)CC1(C)CCCC1 ZINC000307707869 353096974 /nfs/dbraw/zinc/09/69/74/353096974.db2.gz ZXUVPVXGDLCPJP-JQWIXIFHSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@H]1SCC[C@]1(O)CC1(C)CCCC1 ZINC000307707870 353096764 /nfs/dbraw/zinc/09/67/64/353096764.db2.gz ZXUVPVXGDLCPJP-PWSUYJOCSA-N 0 0 214.374 3.213 10 0 BGAERN C[C@H]1SCC[C@@]1(O)CC1(C)CCCC1 ZINC000307707871 353096939 /nfs/dbraw/zinc/09/69/39/353096939.db2.gz ZXUVPVXGDLCPJP-ZYHUDNBSSA-N 0 0 214.374 3.213 10 0 BGAERN CC[C@@H]1CCCCCN1C1=NC(=O)CS1 ZINC000307708435 372140975 /nfs/dbraw/zinc/14/09/75/372140975.db2.gz IZKAVECTRZMNDL-SECBINFHSA-N 0 0 226.345 3.008 10 0 BGAERN CC[C@H]1CCCCCN1C1=NC(=O)CS1 ZINC000307708436 372141092 /nfs/dbraw/zinc/14/10/92/372141092.db2.gz IZKAVECTRZMNDL-VIFPVBQESA-N 0 0 226.345 3.008 10 0 BGAERN O=C(c1coc(Br)c1)C1CCC1 ZINC000307709077 353100543 /nfs/dbraw/zinc/10/05/43/353100543.db2.gz LBMACXOKKPTFJO-UHFFFAOYSA-N 0 0 229.073 3.025 10 0 BGAERN Clc1ncn(CC=C2CCC2)c1Cl ZINC000307709256 353102621 /nfs/dbraw/zinc/10/26/21/353102621.db2.gz LPYKCABWCQOXOG-UHFFFAOYSA-N 0 0 217.099 3.300 10 0 BGAERN Clc1nc(N[C@@H]2CC=CCC2)cs1 ZINC000307712034 372140853 /nfs/dbraw/zinc/14/08/53/372140853.db2.gz VXZACCPUAIHPRM-SSDOTTSWSA-N 0 0 214.721 3.317 10 0 BGAERN Clc1nc(N[C@H]2CC=CCC2)cs1 ZINC000307712035 372141616 /nfs/dbraw/zinc/14/16/16/372141616.db2.gz VXZACCPUAIHPRM-ZETCQYMHSA-N 0 0 214.721 3.317 10 0 BGAERN Cc1cc(-c2cc(C)ccc2C=O)sn1 ZINC000307714766 635993424 /nfs/dbraw/zinc/99/34/24/635993424.db2.gz DTNAZENAMDEKAE-UHFFFAOYSA-N 0 0 217.293 3.239 10 0 BGAERN O=C(c1coc(Br)c1)C1CCCC1 ZINC000307716090 353108120 /nfs/dbraw/zinc/10/81/20/353108120.db2.gz GYTMIJDPRFOKCV-UHFFFAOYSA-N 0 0 243.100 3.415 10 0 BGAERN FC(F)(F)c1sccc1NC1CC1 ZINC000307717488 386095255 /nfs/dbraw/zinc/09/52/55/386095255.db2.gz JNZACNCCQNIOBB-UHFFFAOYSA-N 0 0 207.220 3.341 10 0 BGAERN CC/C(=C/c1cscc1Br)CO ZINC000307718177 353108634 /nfs/dbraw/zinc/10/86/34/353108634.db2.gz KSWWJHXJSUBKLZ-CLTKARDFSA-N 0 0 247.157 3.296 10 0 BGAERN CCCc1cc(F)c(Br)cc1N ZINC000307720092 353109565 /nfs/dbraw/zinc/10/95/65/353109565.db2.gz OBZFHCRTPKVLQC-UHFFFAOYSA-N 0 0 232.096 3.123 10 0 BGAERN Cc1cscc1N[C@H]1CCS[C@@H]1C ZINC000307723539 353112274 /nfs/dbraw/zinc/11/22/74/353112274.db2.gz VJDJPELSHWJWLS-BDAKNGLRSA-N 0 0 213.371 3.362 10 0 BGAERN Cc1cscc1N[C@@H]1CCS[C@H]1C ZINC000307723540 353112261 /nfs/dbraw/zinc/11/22/61/353112261.db2.gz VJDJPELSHWJWLS-DTWKUNHWSA-N 0 0 213.371 3.362 10 0 BGAERN Cc1cscc1N[C@H]1CCS[C@H]1C ZINC000307723541 353112126 /nfs/dbraw/zinc/11/21/26/353112126.db2.gz VJDJPELSHWJWLS-IUCAKERBSA-N 0 0 213.371 3.362 10 0 BGAERN Cc1cscc1N[C@@H]1CCS[C@@H]1C ZINC000307723542 353112136 /nfs/dbraw/zinc/11/21/36/353112136.db2.gz VJDJPELSHWJWLS-RKDXNWHRSA-N 0 0 213.371 3.362 10 0 BGAERN Cc1cc(C(=O)CC2CCCC2)sn1 ZINC000307723982 353112231 /nfs/dbraw/zinc/11/22/31/353112231.db2.gz WWCBOQHAIJGZBM-UHFFFAOYSA-N 0 0 209.314 3.215 10 0 BGAERN COc1cccc(NC(C)C)c1Br ZINC000307724601 353112807 /nfs/dbraw/zinc/11/28/07/353112807.db2.gz YVEAEURFCKEQET-UHFFFAOYSA-N 0 0 244.132 3.278 10 0 BGAERN CC(C)[C@@H](C)Nc1ccnc(Br)c1 ZINC000307729823 353113972 /nfs/dbraw/zinc/11/39/72/353113972.db2.gz HLSLGVUPEIOLJP-MRVPVSSYSA-N 0 0 243.148 3.301 10 0 BGAERN CC(C)[C@H](C)Nc1ccnc(Br)c1 ZINC000307729824 353113967 /nfs/dbraw/zinc/11/39/67/353113967.db2.gz HLSLGVUPEIOLJP-QMMMGPOBSA-N 0 0 243.148 3.301 10 0 BGAERN Cc1cc(-c2nc(N)c(C)s2)cs1 ZINC000307734671 398208970 /nfs/dbraw/zinc/20/89/70/398208970.db2.gz PDUMGDIFECOWET-UHFFFAOYSA-N 0 0 210.327 3.071 10 0 BGAERN CCC1(Nc2cncc(Br)c2)CC1 ZINC000307735042 353098733 /nfs/dbraw/zinc/09/87/33/353098733.db2.gz PUOXKOWYAWXZHK-UHFFFAOYSA-N 0 0 241.132 3.199 10 0 BGAERN Cc1cc(-c2cc(C)cc(N)c2)sn1 ZINC000307735123 635994727 /nfs/dbraw/zinc/99/47/27/635994727.db2.gz QCTDZGWHSAEEAE-UHFFFAOYSA-N 0 0 204.298 3.009 10 0 BGAERN CC(C)CNc1cccc(Br)c1N ZINC000307735586 353120797 /nfs/dbraw/zinc/12/07/97/353120797.db2.gz YHODKKQVKRIMCR-UHFFFAOYSA-N 0 0 243.148 3.099 10 0 BGAERN Cc1cc([C@@H]2NC[C@@H](C)CS2)cs1 ZINC000307736276 353120767 /nfs/dbraw/zinc/12/07/67/353120767.db2.gz ZPYHQDGCGJIATE-GMSGAONNSA-N 0 0 213.371 3.028 10 0 BGAERN Cc1cc([C@@H]2NC[C@H](C)CS2)cs1 ZINC000307736277 353120589 /nfs/dbraw/zinc/12/05/89/353120589.db2.gz ZPYHQDGCGJIATE-OIBJUYFYSA-N 0 0 213.371 3.028 10 0 BGAERN Cc1cc([C@H]2NC[C@@H](C)CS2)cs1 ZINC000307736278 353120689 /nfs/dbraw/zinc/12/06/89/353120689.db2.gz ZPYHQDGCGJIATE-XCBNKYQSSA-N 0 0 213.371 3.028 10 0 BGAERN Cc1cc([C@H]2NC[C@H](C)CS2)cs1 ZINC000307736279 353121259 /nfs/dbraw/zinc/12/12/59/353121259.db2.gz ZPYHQDGCGJIATE-XVKPBYJWSA-N 0 0 213.371 3.028 10 0 BGAERN Cc1cc(C(=O)c2cscc2C)sn1 ZINC000307738559 353122541 /nfs/dbraw/zinc/12/25/41/353122541.db2.gz WYNOKOZGGNLGGT-UHFFFAOYSA-N 0 0 223.322 3.052 10 0 BGAERN Cc1cc(C(=O)C2CC(F)(F)C2)oc1C ZINC000307739662 353121656 /nfs/dbraw/zinc/12/16/56/353121656.db2.gz ZHEIMDDPJHFZEH-UHFFFAOYSA-N 0 0 214.211 3.124 10 0 BGAERN CC1(C)SC[C@H]1Nc1csc(Cl)n1 ZINC000307743758 353123618 /nfs/dbraw/zinc/12/36/18/353123618.db2.gz MVDIWTHIWGFKEL-RXMQYKEDSA-N 0 0 234.777 3.102 10 0 BGAERN CC1(C)SC[C@@H]1Nc1csc(Cl)n1 ZINC000307743759 353123442 /nfs/dbraw/zinc/12/34/42/353123442.db2.gz MVDIWTHIWGFKEL-YFKPBYRVSA-N 0 0 234.777 3.102 10 0 BGAERN CCNc1cccc(C(Cl)(Cl)Cl)n1 ZINC000307746562 353125644 /nfs/dbraw/zinc/12/56/44/353125644.db2.gz VTYMZBKZDOXEJH-UHFFFAOYSA-N 0 0 239.533 3.340 10 0 BGAERN Clc1ccc(Cl)c(NC2CCC2)n1 ZINC000307750061 353126069 /nfs/dbraw/zinc/12/60/69/353126069.db2.gz IQJOUZLQAMMRME-UHFFFAOYSA-N 0 0 217.099 3.353 10 0 BGAERN Cc1cc(C(=O)C(F)F)cc(C)c1Cl ZINC000307752472 353128367 /nfs/dbraw/zinc/12/83/67/353128367.db2.gz RUFSCHUSVOPWTF-UHFFFAOYSA-N 0 0 218.630 3.405 10 0 BGAERN O=C(c1csc(Cl)c1)c1ccsn1 ZINC000307755035 353130147 /nfs/dbraw/zinc/13/01/47/353130147.db2.gz CBTWYTQKQKRYTP-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN Cc1oc(Br)nc1-c1ccsc1 ZINC000307755742 353130072 /nfs/dbraw/zinc/13/00/72/353130072.db2.gz FJDSYRJRDOFSBM-UHFFFAOYSA-N 0 0 244.113 3.474 10 0 BGAERN Clc1sccc1CNc1nccs1 ZINC000307756142 353129879 /nfs/dbraw/zinc/12/98/79/353129879.db2.gz GWRUARLVMJCQAV-UHFFFAOYSA-N 0 0 230.745 3.470 10 0 BGAERN Clc1cnc(N[C@@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000307760537 353130493 /nfs/dbraw/zinc/13/04/93/353130493.db2.gz WCXCOWUEEGOPRW-DSYKOEDSSA-N 0 0 214.721 3.007 10 0 BGAERN Clc1cnc(N[C@@H]2CC[C@H]3C[C@H]32)s1 ZINC000307760540 353130538 /nfs/dbraw/zinc/13/05/38/353130538.db2.gz WCXCOWUEEGOPRW-RRKCRQDMSA-N 0 0 214.721 3.007 10 0 BGAERN CCc1cc(-c2ccc3c(c2)CCC3=O)ccn1 ZINC000307806437 643669604 /nfs/dbraw/zinc/66/96/04/643669604.db2.gz VEOUYDPBXPAJAP-UHFFFAOYSA-N 0 0 237.302 3.440 10 0 BGAERN CC/C(=C\c1sccc1Br)CO ZINC000307907258 353168803 /nfs/dbraw/zinc/16/88/03/353168803.db2.gz JYRWQNKVDVPNGP-FNORWQNLSA-N 0 0 247.157 3.296 10 0 BGAERN C/C(=C\[C@@H](C)O)c1ccc(Cl)s1 ZINC000307921179 353257028 /nfs/dbraw/zinc/25/70/28/353257028.db2.gz DTOACACWPTUXSH-WEWAHIQMSA-N 0 0 202.706 3.186 10 0 BGAERN C/C(=C\[C@H](C)O)c1ccc(Cl)s1 ZINC000307921180 350050257 /nfs/dbraw/zinc/05/02/57/350050257.db2.gz DTOACACWPTUXSH-XPPMVYLVSA-N 0 0 202.706 3.186 10 0 BGAERN C/C(=C/c1csc(Br)c1)[C@@H](C)O ZINC000308003570 346748827 /nfs/dbraw/zinc/74/88/27/346748827.db2.gz JREMACQERRMUAQ-FXHNIGACSA-N 0 0 247.157 3.295 10 0 BGAERN C/C(=C/c1csc(Br)c1)[C@H](C)O ZINC000308003571 346748550 /nfs/dbraw/zinc/74/85/50/346748550.db2.gz JREMACQERRMUAQ-NFNQMPKISA-N 0 0 247.157 3.295 10 0 BGAERN C/C=C\COc1ccc(Cl)c(F)c1 ZINC000308076613 353767204 /nfs/dbraw/zinc/76/72/04/353767204.db2.gz VUFHQCWAZPUYQB-IHWYPQMZSA-N 0 0 200.640 3.434 10 0 BGAERN CCC[C@H](NO)c1ccccc1Br ZINC000308086398 346757400 /nfs/dbraw/zinc/75/74/00/346757400.db2.gz BLFSLFGCTFOLRI-JTQLQIEISA-N 0 0 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0 218.300 3.378 10 0 BGAERN CCCC[C@H](NO)c1ccc2[nH]ccc2c1 ZINC000309512484 343661710 /nfs/dbraw/zinc/66/17/10/343661710.db2.gz RDULZHNXSHKYPT-ZDUSSCGKSA-N 0 0 218.300 3.378 10 0 BGAERN CCCCC(=O)c1cc(F)c(F)c(OC)c1 ZINC000309512863 343661789 /nfs/dbraw/zinc/66/17/89/343661789.db2.gz RIEXVAANNFUBKX-UHFFFAOYSA-N 0 0 228.238 3.346 10 0 BGAERN Cc1ccc(OC(F)(F)F)nc1C(F)(F)F ZINC000309512881 343661794 /nfs/dbraw/zinc/66/17/94/343661794.db2.gz RKPFFLVYOBQQPA-UHFFFAOYSA-N 0 0 245.122 3.307 10 0 BGAERN COc1cc(F)c(F)cc1C(=O)CC(C)C ZINC000309513941 343661713 /nfs/dbraw/zinc/66/17/13/343661713.db2.gz SFLJZRUAOBADFF-UHFFFAOYSA-N 0 0 228.238 3.202 10 0 BGAERN COC(=O)Cc1cccc2ccc(Cl)cc21 ZINC000309514567 343661874 /nfs/dbraw/zinc/66/18/74/343661874.db2.gz WUHGBHFQQWEILP-UHFFFAOYSA-N 0 0 234.682 3.209 10 0 BGAERN CC(C)c1nccnc1NCc1cccs1 ZINC000309515072 385654827 /nfs/dbraw/zinc/65/48/27/385654827.db2.gz YJXUHRLUODVZOC-UHFFFAOYSA-N 0 0 233.340 3.274 10 0 BGAERN Cc1c(OC(F)(F)F)ccnc1C(F)(F)F ZINC000309515821 343661831 /nfs/dbraw/zinc/66/18/31/343661831.db2.gz UPPSNYRWMCNXIG-UHFFFAOYSA-N 0 0 245.122 3.307 10 0 BGAERN CCCCC(=O)c1ccc(C(=O)OCC)s1 ZINC000309519706 343662366 /nfs/dbraw/zinc/66/23/66/343662366.db2.gz XJQMOMFVZUNWPI-UHFFFAOYSA-N 0 0 240.324 3.298 10 0 BGAERN CC1(C)CCc2c(-c3ccccc3)cnn21 ZINC000309521525 343686863 /nfs/dbraw/zinc/68/68/63/343686863.db2.gz YKAVDYGRMQYGEY-UHFFFAOYSA-N 0 0 212.296 3.231 10 0 BGAERN Nc1cc2ccccc2cc1OC(F)(F)F ZINC000309542621 343724259 /nfs/dbraw/zinc/72/42/59/343724259.db2.gz HOUNULQAMQVHCX-UHFFFAOYSA-N 0 0 227.185 3.321 10 0 BGAERN Nc1ccc2c(cccc2OC(F)(F)F)c1 ZINC000309546636 363441859 /nfs/dbraw/zinc/44/18/59/363441859.db2.gz JCVNJDMIVIBELD-UHFFFAOYSA-N 0 0 227.185 3.321 10 0 BGAERN Nc1ccc2cccc(OC(F)(F)F)c2c1 ZINC000309558590 343745414 /nfs/dbraw/zinc/74/54/14/343745414.db2.gz PFNBQNVNLRWDHA-UHFFFAOYSA-N 0 0 227.185 3.321 10 0 BGAERN COc1cccc2cccc(OC(F)F)c21 ZINC000309568328 343873408 /nfs/dbraw/zinc/87/34/08/343873408.db2.gz UTBGEMKMDSCUSH-UHFFFAOYSA-N 0 0 224.206 3.450 10 0 BGAERN FC(F)(F)c1c[nH]c(NCc2ccsc2)n1 ZINC000309597781 385727749 /nfs/dbraw/zinc/72/77/49/385727749.db2.gz VGIGIYUVEOHPLG-UHFFFAOYSA-N 0 0 247.245 3.102 10 0 BGAERN Cc1ccc(Cl)c(NCCC2(O)CC2)c1C ZINC000309612285 385746073 /nfs/dbraw/zinc/74/60/73/385746073.db2.gz AOUHEFNJQHVINM-UHFFFAOYSA-N 0 0 239.746 3.284 10 0 BGAERN CC(C)[C@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000309635071 384185128 /nfs/dbraw/zinc/18/51/28/384185128.db2.gz MAMRNZSIVUBYOR-JTQLQIEISA-N 0 0 221.348 3.231 10 0 BGAERN CC(C)[C@@H](C)Nc1nccc(C(C)(C)C)n1 ZINC000309635075 384184796 /nfs/dbraw/zinc/18/47/96/384184796.db2.gz MAMRNZSIVUBYOR-SNVBAGLBSA-N 0 0 221.348 3.231 10 0 BGAERN C[C@@H](O)c1cccc(OCC2(C)CCC2)c1 ZINC000309658890 633220436 /nfs/dbraw/zinc/22/04/36/633220436.db2.gz BAQVTUMLTWZLDE-LLVKDONJSA-N 0 0 220.312 3.309 10 0 BGAERN Cc1csc2ncnc(N[C@H](C)C(C)C)c12 ZINC000309671714 385787302 /nfs/dbraw/zinc/78/73/02/385787302.db2.gz KEVLDAFDXAAUEC-SECBINFHSA-N 0 0 235.356 3.456 10 0 BGAERN Cc1csc2ncnc(N[C@@H](C)C(C)C)c12 ZINC000309671715 179799402 /nfs/dbraw/zinc/79/94/02/179799402.db2.gz KEVLDAFDXAAUEC-VIFPVBQESA-N 0 0 235.356 3.456 10 0 BGAERN CC(C)[C@@H](C)Nc1ncnc2[nH]c(Cl)cc21 ZINC000309674901 633984841 /nfs/dbraw/zinc/98/48/41/633984841.db2.gz LHWOCTSPPDRUKD-SSDOTTSWSA-N 0 0 238.722 3.068 10 0 BGAERN CC(C)[C@H](C)Nc1ncnc2[nH]c(Cl)cc21 ZINC000309674902 633222535 /nfs/dbraw/zinc/22/25/35/633222535.db2.gz LHWOCTSPPDRUKD-ZETCQYMHSA-N 0 0 238.722 3.068 10 0 BGAERN Cc1cc2n[nH]cc2cc1NC1CCCC1 ZINC000309688379 384201479 /nfs/dbraw/zinc/20/14/79/384201479.db2.gz IDKKYJQWJWDKNY-UHFFFAOYSA-N 0 0 215.300 3.226 10 0 BGAERN c1sc(NC[C@@H]2CCCO2)nc1C1CCC1 ZINC000309691490 385795374 /nfs/dbraw/zinc/79/53/74/385795374.db2.gz PWTNBDQBFKWFEG-JTQLQIEISA-N 0 0 238.356 3.002 10 0 BGAERN CC(C)(N[C@@H]1CCc2ccccc21)C(F)F ZINC000309694224 491154625 /nfs/dbraw/zinc/15/46/25/491154625.db2.gz QSAJNHKAFLWAQB-LLVKDONJSA-N 0 0 225.282 3.307 10 0 BGAERN CC(C)(N[C@H]1CCc2ccccc21)C(F)F ZINC000309694225 491154647 /nfs/dbraw/zinc/15/46/47/491154647.db2.gz QSAJNHKAFLWAQB-NSHDSACASA-N 0 0 225.282 3.307 10 0 BGAERN CCc1cc(C)nc(N[C@H](CC)C(C)C)n1 ZINC000309703057 491154516 /nfs/dbraw/zinc/15/45/16/491154516.db2.gz NJEJDSRGUPJKFZ-GFCCVEGCSA-N 0 0 221.348 3.194 10 0 BGAERN CCc1cc(C)nc(N[C@@H](CC)C(C)C)n1 ZINC000309703060 491154481 /nfs/dbraw/zinc/15/44/81/491154481.db2.gz NJEJDSRGUPJKFZ-LBPRGKRZSA-N 0 0 221.348 3.194 10 0 BGAERN CCC[C@@H](CC)Nc1cn(C)nc1C1CC1 ZINC000309706725 388462021 /nfs/dbraw/zinc/46/20/21/388462021.db2.gz OUXRTQQBOQZLNR-LLVKDONJSA-N 0 0 221.348 3.288 10 0 BGAERN CCC[C@H](CC)Nc1cn(C)nc1C1CC1 ZINC000309706727 388462011 /nfs/dbraw/zinc/46/20/11/388462011.db2.gz OUXRTQQBOQZLNR-NSHDSACASA-N 0 0 221.348 3.288 10 0 BGAERN CCC[C@@H]1C[C@H]1Nc1ccnc(C(C)C)n1 ZINC000309706762 384542449 /nfs/dbraw/zinc/54/24/49/384542449.db2.gz OVHPCWKMFVGZGV-GHMZBOCLSA-N 0 0 219.332 3.201 10 0 BGAERN CCC[C@@H]1C[C@@H]1Nc1ccnc(C(C)C)n1 ZINC000309706764 384542373 /nfs/dbraw/zinc/54/23/73/384542373.db2.gz OVHPCWKMFVGZGV-MNOVXSKESA-N 0 0 219.332 3.201 10 0 BGAERN CCC[C@H]1C[C@@H]1Nc1ccnc(C(C)C)n1 ZINC000309706766 384542222 /nfs/dbraw/zinc/54/22/22/384542222.db2.gz OVHPCWKMFVGZGV-QWRGUYRKSA-N 0 0 219.332 3.201 10 0 BGAERN CCC[C@H]1C[C@H]1Nc1ccnc(C(C)C)n1 ZINC000309706768 384542602 /nfs/dbraw/zinc/54/26/02/384542602.db2.gz OVHPCWKMFVGZGV-WDEREUQCSA-N 0 0 219.332 3.201 10 0 BGAERN CC(C)=CCCNc1nc(C)nc(C)c1F ZINC000309706788 187822099 /nfs/dbraw/zinc/82/20/99/187822099.db2.gz VRNQQQAGCUAECI-UHFFFAOYSA-N 0 0 223.295 3.001 10 0 BGAERN CCC(CC)CNc1nc(C)nc(C)c1F ZINC000309709794 168365701 /nfs/dbraw/zinc/36/57/01/168365701.db2.gz QCZYGYRKHIBWFB-UHFFFAOYSA-N 0 0 225.311 3.081 10 0 BGAERN CCCCCCNc1nc(C)nc(C)c1F ZINC000309711356 632655929 /nfs/dbraw/zinc/65/59/29/632655929.db2.gz QRWBFAUCOFVSJT-UHFFFAOYSA-N 0 0 225.311 3.225 10 0 BGAERN CC[C@H](Nc1nc(C)nc(C)c1F)C(C)C ZINC000309715671 384555698 /nfs/dbraw/zinc/55/56/98/384555698.db2.gz SRYBSMAXFNVCFA-JTQLQIEISA-N 0 0 225.311 3.079 10 0 BGAERN CC[C@@H](Nc1nc(C)nc(C)c1F)C(C)C ZINC000309715672 170917078 /nfs/dbraw/zinc/91/70/78/170917078.db2.gz SRYBSMAXFNVCFA-SNVBAGLBSA-N 0 0 225.311 3.079 10 0 BGAERN CCc1nn(C)cc1N[C@H](CC)C(C)(C)C ZINC000309720172 388462300 /nfs/dbraw/zinc/46/23/00/388462300.db2.gz VUAVDOWOGYWXDG-GFCCVEGCSA-N 0 0 223.364 3.219 10 0 BGAERN CCc1nn(C)cc1N[C@@H](CC)C(C)(C)C ZINC000309720173 529768943 /nfs/dbraw/zinc/76/89/43/529768943.db2.gz VUAVDOWOGYWXDG-LBPRGKRZSA-N 0 0 223.364 3.219 10 0 BGAERN C[C@@H](NO)c1ccccc1OCc1ccccc1 ZINC000309727378 343961121 /nfs/dbraw/zinc/96/11/21/343961121.db2.gz QGGDFXDLEKQXTA-GFCCVEGCSA-N 0 0 243.306 3.305 10 0 BGAERN C[C@H](NO)c1ccccc1OCc1ccccc1 ZINC000309727379 343960924 /nfs/dbraw/zinc/96/09/24/343960924.db2.gz QGGDFXDLEKQXTA-LBPRGKRZSA-N 0 0 243.306 3.305 10 0 BGAERN Cc1nc([C@@H](C)Nc2cccc(C)n2)cs1 ZINC000309744162 179157712 /nfs/dbraw/zinc/15/77/12/179157712.db2.gz FCYRZGLFAGSDDP-SECBINFHSA-N 0 0 233.340 3.328 10 0 BGAERN Cc1nc([C@H](C)Nc2cccc(C)n2)cs1 ZINC000309744163 179152813 /nfs/dbraw/zinc/15/28/13/179152813.db2.gz FCYRZGLFAGSDDP-VIFPVBQESA-N 0 0 233.340 3.328 10 0 BGAERN Cc1nc(C)c(F)c(N[C@H](C)C(C)(C)C)n1 ZINC000309755531 384586359 /nfs/dbraw/zinc/58/63/59/384586359.db2.gz HMTYQRIUECVZIE-MRVPVSSYSA-N 0 0 225.311 3.079 10 0 BGAERN Cc1cc2n[nH]cc2cc1N[C@H](C)C1CC1 ZINC000309756014 388464165 /nfs/dbraw/zinc/46/41/65/388464165.db2.gz HOSQGFQBNRBQQP-SECBINFHSA-N 0 0 215.300 3.082 10 0 BGAERN Cc1cc2n[nH]cc2cc1N[C@@H](C)C1CC1 ZINC000309756015 388464140 /nfs/dbraw/zinc/46/41/40/388464140.db2.gz HOSQGFQBNRBQQP-VIFPVBQESA-N 0 0 215.300 3.082 10 0 BGAERN C[C@@H]1C[C@H]1Nc1nnc(-c2ccccc2)s1 ZINC000309767205 384595088 /nfs/dbraw/zinc/59/50/88/384595088.db2.gz JSBXNGFUJXZYBR-PSASIEDQSA-N 0 0 231.324 3.025 10 0 BGAERN C[C@@H]1C[C@@H]1Nc1nnc(-c2ccccc2)s1 ZINC000309767207 176405677 /nfs/dbraw/zinc/40/56/77/176405677.db2.gz JSBXNGFUJXZYBR-SCZZXKLOSA-N 0 0 231.324 3.025 10 0 BGAERN C[C@H]1C[C@H]1Nc1nnc(-c2ccccc2)s1 ZINC000309767209 384594430 /nfs/dbraw/zinc/59/44/30/384594430.db2.gz JSBXNGFUJXZYBR-WCBMZHEXSA-N 0 0 231.324 3.025 10 0 BGAERN C[C@H]1C[C@@H]1Nc1nnc(-c2ccccc2)s1 ZINC000309767211 177351012 /nfs/dbraw/zinc/35/10/12/177351012.db2.gz JSBXNGFUJXZYBR-WPRPVWTQSA-N 0 0 231.324 3.025 10 0 BGAERN Cc1cc2c(ncnc2N[C@@H](C)C2CC2)s1 ZINC000309781371 633735062 /nfs/dbraw/zinc/73/50/62/633735062.db2.gz NACYWBWVGGHRHX-QMMMGPOBSA-N 0 0 233.340 3.210 10 0 BGAERN Cc1cnc(N[C@H](C)c2cncc(F)c2)s1 ZINC000309785933 179641218 /nfs/dbraw/zinc/64/12/18/179641218.db2.gz OANIPMVKBXAWQY-MRVPVSSYSA-N 0 0 237.303 3.159 10 0 BGAERN C[C@@H](NO)c1cccc(OCc2ccccc2)c1 ZINC000309793560 343966982 /nfs/dbraw/zinc/96/69/82/343966982.db2.gz PIIJKANDYCFKFJ-GFCCVEGCSA-N 0 0 243.306 3.305 10 0 BGAERN C[C@H](NO)c1cccc(OCc2ccccc2)c1 ZINC000309793561 343967234 /nfs/dbraw/zinc/96/72/34/343967234.db2.gz PIIJKANDYCFKFJ-LBPRGKRZSA-N 0 0 243.306 3.305 10 0 BGAERN Cc1cc([C@@H](C)Nc2ccccc2C)no1 ZINC000309800041 178234961 /nfs/dbraw/zinc/23/49/61/178234961.db2.gz QZVHDZSBYMPJNN-LLVKDONJSA-N 0 0 216.284 3.465 10 0 BGAERN Cc1cc([C@H](C)Nc2ccccc2C)no1 ZINC000309800042 178260026 /nfs/dbraw/zinc/26/00/26/178260026.db2.gz QZVHDZSBYMPJNN-NSHDSACASA-N 0 0 216.284 3.465 10 0 BGAERN Cc1cnc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000309806499 384632743 /nfs/dbraw/zinc/63/27/43/384632743.db2.gz SGONFDXPANFYSA-DOFRTFSJSA-N 0 0 240.372 3.067 10 0 BGAERN Cc1cnc(NCC2C[C@H](C)O[C@@H](C)C2)s1 ZINC000309806500 384634314 /nfs/dbraw/zinc/63/43/14/384634314.db2.gz SGONFDXPANFYSA-IUCAKERBSA-N 0 0 240.372 3.067 10 0 BGAERN Cc1cnc(NCC2C[C@@H](C)O[C@H](C)C2)s1 ZINC000309806501 179632520 /nfs/dbraw/zinc/63/25/20/179632520.db2.gz SGONFDXPANFYSA-RKDXNWHRSA-N 0 0 240.372 3.067 10 0 BGAERN Cc1ccc(Cl)c(N[C@@H](C)[C@H]2CCCO2)n1 ZINC000309809065 633762257 /nfs/dbraw/zinc/76/22/57/633762257.db2.gz SZJLSLXGSRXYAK-GXSJLCMTSA-N 0 0 240.734 3.023 10 0 BGAERN Cc1ccc(Cl)c(N[C@H](C)[C@@H]2CCCO2)n1 ZINC000309809067 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SHJUNDKCFFKOKM-QWHCGFSZSA-N 0 0 228.332 3.068 10 0 BGAERN CCCC[C@]1(C)O[C@@]1(CCC)C(=O)OCC ZINC000394580859 582995668 /nfs/dbraw/zinc/99/56/68/582995668.db2.gz SHJUNDKCFFKOKM-STQMWFEESA-N 0 0 228.332 3.068 10 0 BGAERN CCC(CC)C(=O)c1cc(F)cc(OC)c1 ZINC000394705066 349499504 /nfs/dbraw/zinc/49/95/04/349499504.db2.gz DMRVJHGJHLLTQP-UHFFFAOYSA-N 0 0 224.275 3.453 10 0 BGAERN CCC(CC)C(=O)c1ccc(F)cc1OC ZINC000394707090 342815257 /nfs/dbraw/zinc/81/52/57/342815257.db2.gz GQRJNDGHBRUAHR-UHFFFAOYSA-N 0 0 224.275 3.453 10 0 BGAERN CC[C@@H](C)C(=O)c1ccc(F)cc1OC ZINC000394707890 342815493 /nfs/dbraw/zinc/81/54/93/342815493.db2.gz GYYZIHJJENFSCW-MRVPVSSYSA-N 0 0 210.248 3.063 10 0 BGAERN CC[C@H](C)C(=O)c1ccc(F)cc1OC ZINC000394707896 342815446 /nfs/dbraw/zinc/81/54/46/342815446.db2.gz GYYZIHJJENFSCW-QMMMGPOBSA-N 0 0 210.248 3.063 10 0 BGAERN CC(C)CCCCCn1cc(Cl)c(N)n1 ZINC000394723025 583011761 /nfs/dbraw/zinc/01/17/61/583011761.db2.gz BZRFZKKBMPCVJT-UHFFFAOYSA-N 0 0 229.755 3.165 10 0 BGAERN CCC(C)(C)C(=O)c1ccc(F)c(OC)c1 ZINC000394756673 342822228 /nfs/dbraw/zinc/82/22/28/342822228.db2.gz RUVCUTOWJPUBHH-UHFFFAOYSA-N 0 0 224.275 3.453 10 0 BGAERN CCC(C)(C)C(=O)c1ccccc1N(C)C ZINC000394765965 342827248 /nfs/dbraw/zinc/82/72/48/342827248.db2.gz BFKPBVCUBAVIIJ-UHFFFAOYSA-N 0 0 219.328 3.372 10 0 BGAERN CCC[C@@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000394772677 342831236 /nfs/dbraw/zinc/83/12/36/342831236.db2.gz HGNSCJXCFUGTKO-SECBINFHSA-N 0 0 220.268 3.034 10 0 BGAERN CCC[C@H](C)C(=O)c1ccc2c(c1)OCO2 ZINC000394772678 342831181 /nfs/dbraw/zinc/83/11/81/342831181.db2.gz HGNSCJXCFUGTKO-VIFPVBQESA-N 0 0 220.268 3.034 10 0 BGAERN CSCCC(=O)c1cccc(F)c1C ZINC000394782823 342834964 /nfs/dbraw/zinc/83/49/64/342834964.db2.gz MNPURDXRHFQJJC-UHFFFAOYSA-N 0 0 212.289 3.070 10 0 BGAERN CC(C)CCCCC[C@@H](O)c1cn[nH]c1 ZINC000394861268 583018224 /nfs/dbraw/zinc/01/82/24/583018224.db2.gz MAZHGQSXKKLMDG-GFCCVEGCSA-N 0 0 210.321 3.050 10 0 BGAERN CC(C)CCCCC[C@H](O)c1cn[nH]c1 ZINC000394861269 583018652 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VASXCMJKHTVFHG-UHFFFAOYSA-N 0 0 230.254 3.223 10 0 BGAERN COC(=O)c1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000408510150 323047117 /nfs/dbraw/zinc/04/71/17/323047117.db2.gz GROOAPDLHNKDDI-GDLCADMTSA-N 0 0 245.322 3.074 10 0 BGAERN CN(C)c1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000408510350 323047150 /nfs/dbraw/zinc/04/71/50/323047150.db2.gz MKRMJZIMXUPJDA-XQQFMLRXSA-N 0 0 230.355 3.353 10 0 BGAERN CC(C)c1nn(C)cc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000408510784 323047165 /nfs/dbraw/zinc/04/71/65/323047165.db2.gz DRRKJTPWYHILNQ-TUAOUCFPSA-N 0 0 233.359 3.144 10 0 BGAERN CC(C)c1nccnc1N[C@@H](C)c1cccs1 ZINC000413028601 191352723 /nfs/dbraw/zinc/35/27/23/191352723.db2.gz PWAARTOLLGEACM-JTQLQIEISA-N 0 0 247.367 3.257 10 0 BGAERN CC(C)c1nccnc1N[C@H](C)c1cccs1 ZINC000413028602 191352451 /nfs/dbraw/zinc/35/24/51/191352451.db2.gz PWAARTOLLGEACM-SNVBAGLBSA-N 0 0 247.367 3.257 10 0 BGAERN Cc1ccc(CNc2nccnc2C(C)C)s1 ZINC000413060311 191351318 /nfs/dbraw/zinc/35/13/18/191351318.db2.gz JNTGOSIEYGNTCW-UHFFFAOYSA-N 0 0 247.367 3.004 10 0 BGAERN Cc1ccsc1CNc1nccnc1C(C)C ZINC000413085943 191355521 /nfs/dbraw/zinc/35/55/21/191355521.db2.gz QJZLOMQOMPNILS-UHFFFAOYSA-N 0 0 247.367 3.004 10 0 BGAERN CSCCCCNc1nccnc1C(C)C ZINC000413152714 191357129 /nfs/dbraw/zinc/35/71/29/191357129.db2.gz DIRUAJDCSDJYKQ-UHFFFAOYSA-N 0 0 239.388 3.155 10 0 BGAERN CC(C)c1nccnc1NCCCC(F)(F)F ZINC000413180811 191360852 /nfs/dbraw/zinc/36/08/52/191360852.db2.gz ZKJPDDJZOYGSDM-UHFFFAOYSA-N 0 0 247.264 3.354 10 0 BGAERN Cc1cscc1CNc1nccnc1C(C)C ZINC000413257792 191366732 /nfs/dbraw/zinc/36/67/32/191366732.db2.gz BKDASUCSSXNLLZ-UHFFFAOYSA-N 0 0 247.367 3.004 10 0 BGAERN CC(C)c1nccnc1NCCC1(C)CC1 ZINC000413259184 191366611 /nfs/dbraw/zinc/36/66/11/191366611.db2.gz CWGGGIOBRKTCGM-UHFFFAOYSA-N 0 0 219.332 3.202 10 0 BGAERN CC(C)=CCCNc1nccnc1C(C)C ZINC000413268040 191368184 /nfs/dbraw/zinc/36/81/84/191368184.db2.gz RHJGOELHYMTCMT-UHFFFAOYSA-N 0 0 219.332 3.368 10 0 BGAERN CCSCCCNc1nccnc1C(C)C ZINC000413282187 191365759 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/nfs/dbraw/zinc/79/15/02/386791502.db2.gz YCOWVSHVVMQRHE-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN Brc1ccc(C2=CCCCC2)nn1 ZINC000575450583 386794928 /nfs/dbraw/zinc/79/49/28/386794928.db2.gz LZAPAFYGCZQXQO-UHFFFAOYSA-N 0 0 239.116 3.197 10 0 BGAERN Clc1cc(C2(Cl)CC2)nc(Cl)n1 ZINC000575450731 386797337 /nfs/dbraw/zinc/79/73/37/386797337.db2.gz ZETSHMOZEJTFJY-UHFFFAOYSA-N 0 0 223.490 3.011 10 0 BGAERN C[Si](C)(C)CNc1cncc(Cl)c1 ZINC000575451051 397938239 /nfs/dbraw/zinc/93/82/39/397938239.db2.gz PAHVXBRMIAWMRF-UHFFFAOYSA-N 0 0 214.772 3.024 10 0 BGAERN Fc1ncc(Br)c2ccsc21 ZINC000575451117 386809012 /nfs/dbraw/zinc/80/90/12/386809012.db2.gz JTIXKQRTLHOCNP-UHFFFAOYSA-N 0 0 232.077 3.198 10 0 BGAERN Fc1c(Br)cccc1NCC1CC1 ZINC000575451264 386800065 /nfs/dbraw/zinc/80/00/65/386800065.db2.gz AXWJBIOOHOAAQG-UHFFFAOYSA-N 0 0 244.107 3.410 10 0 BGAERN Clc1ccc(CNc2cnsc2)s1 ZINC000575451597 386803565 /nfs/dbraw/zinc/80/35/65/386803565.db2.gz RVDYBPYXHXCWOI-UHFFFAOYSA-N 0 0 230.745 3.470 10 0 BGAERN 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/nfs/dbraw/zinc/02/79/71/387027971.db2.gz COVROPVZXSTEMT-ZETCQYMHSA-N 0 0 212.701 3.384 10 0 BGAERN Cc1c(Cl)cc2nc(N)sc2c1Cl ZINC000575456220 388786282 /nfs/dbraw/zinc/78/62/82/388786282.db2.gz KTLLAKWTUAODBX-UHFFFAOYSA-N 0 0 233.123 3.324 10 0 BGAERN Cl/C=C(/Cl)CNc1cncc(Cl)c1 ZINC000575456314 387027691 /nfs/dbraw/zinc/02/76/91/387027691.db2.gz QDKVPLXNUMERJV-FARCUNLSSA-N 0 0 237.517 3.466 10 0 BGAERN O=C(c1ccns1)c1ccsc1Cl ZINC000575456980 387031320 /nfs/dbraw/zinc/03/13/20/387031320.db2.gz XLFZULXAUMHNDE-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN Cc1ccc(Br)c2oc(C=O)cc21 ZINC000575458033 387022549 /nfs/dbraw/zinc/02/25/49/387022549.db2.gz ZIDCPWPERHEFJN-UHFFFAOYSA-N 0 0 239.068 3.316 10 0 BGAERN Nc1cc(C(F)(F)F)sc1Cl ZINC000575458175 388794745 /nfs/dbraw/zinc/79/47/45/388794745.db2.gz YDHZTVPPFGXMOJ-UHFFFAOYSA-N 0 0 201.600 3.003 10 0 BGAERN Nc1cc(Br)cc(-c2ccoc2)c1 ZINC000575458336 387023535 /nfs/dbraw/zinc/02/35/35/387023535.db2.gz KEJPEVHEROADQD-UHFFFAOYSA-N 0 0 238.084 3.291 10 0 BGAERN Clc1csc(CNc2cnsc2)c1 ZINC000575459303 388804594 /nfs/dbraw/zinc/80/45/94/388804594.db2.gz DGRGOLFOKCGFBJ-UHFFFAOYSA-N 0 0 230.745 3.470 10 0 BGAERN O=C(c1csc(Cl)c1)c1cncs1 ZINC000575460538 397943940 /nfs/dbraw/zinc/94/39/40/397943940.db2.gz DJTDZYBHIIXEKQ-UHFFFAOYSA-N 0 0 229.713 3.089 10 0 BGAERN CC1CC(C(=O)c2ccc(Br)o2)C1 ZINC000575460839 387038412 /nfs/dbraw/zinc/03/84/12/387038412.db2.gz ZWPHSSCOEMFVDE-UHFFFAOYSA-N 0 0 243.100 3.271 10 0 BGAERN Cc1c(N)c(Cl)cc(Br)c1F ZINC000575461289 387031598 /nfs/dbraw/zinc/03/15/98/387031598.db2.gz VFQDVTWEVNWEFP-UHFFFAOYSA-N 0 0 238.487 3.132 10 0 BGAERN C[C@@H](Nc1ccsc1)C1(Cl)CC1 ZINC000575461375 388809334 /nfs/dbraw/zinc/80/93/34/388809334.db2.gz BPJJKGXJTLBXMJ-SSDOTTSWSA-N 0 0 201.722 3.320 10 0 BGAERN C[C@H](Nc1ccsc1)C1(Cl)CC1 ZINC000575461376 387030667 /nfs/dbraw/zinc/03/06/67/387030667.db2.gz BPJJKGXJTLBXMJ-ZETCQYMHSA-N 0 0 201.722 3.320 10 0 BGAERN FC1(F)C[C@@H]1CNc1ccsc1Cl ZINC000575461550 387032512 /nfs/dbraw/zinc/03/25/12/387032512.db2.gz RZNPODLVAVNOLT-RXMQYKEDSA-N 0 0 223.675 3.469 10 0 BGAERN FC1(F)C[C@H]1CNc1ccsc1Cl ZINC000575461555 387032315 /nfs/dbraw/zinc/03/23/15/387032315.db2.gz RZNPODLVAVNOLT-YFKPBYRVSA-N 0 0 223.675 3.469 10 0 BGAERN CSc1ccc(F)c(Cl)c1C=O ZINC000575461997 397943491 /nfs/dbraw/zinc/94/34/91/397943491.db2.gz FNFHEKIWAFULMJ-UHFFFAOYSA-N 0 0 204.653 3.014 10 0 BGAERN Nc1c(Cl)scc1C1(Cl)CC1 ZINC000575462731 388827832 /nfs/dbraw/zinc/82/78/32/388827832.db2.gz FINYFULBBHUNKU-UHFFFAOYSA-N 0 0 208.113 3.212 10 0 BGAERN Fc1cc(NC2CC2)cc(F)c1Br ZINC000575462888 387042004 /nfs/dbraw/zinc/04/20/04/387042004.db2.gz JQAMXRJSASVFBJ-UHFFFAOYSA-N 0 0 248.070 3.302 10 0 BGAERN CCc1cc(Br)c(N)cc1Cl ZINC000575462899 387041585 /nfs/dbraw/zinc/04/15/85/387041585.db2.gz YVVUZTXFNMJSRG-UHFFFAOYSA-N 0 0 234.524 3.247 10 0 BGAERN Nc1cc(Cl)ccc1-c1cncs1 ZINC000575462945 387042321 /nfs/dbraw/zinc/04/23/21/387042321.db2.gz YDFVASOVMHFGFQ-UHFFFAOYSA-N 0 0 210.689 3.046 10 0 BGAERN 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387093135 /nfs/dbraw/zinc/09/31/35/387093135.db2.gz FPLHCEVEDCMSOH-UHFFFAOYSA-N 0 0 238.084 3.291 10 0 BGAERN Cc1cscc1NC[C@H]1CC1(F)F ZINC000575470066 387111204 /nfs/dbraw/zinc/11/12/04/387111204.db2.gz YEVZULILWLMFPK-SSDOTTSWSA-N 0 0 203.257 3.124 10 0 BGAERN Cc1cscc1NC[C@@H]1CC1(F)F ZINC000575470067 398000493 /nfs/dbraw/zinc/00/04/93/398000493.db2.gz YEVZULILWLMFPK-ZETCQYMHSA-N 0 0 203.257 3.124 10 0 BGAERN CC(F)(F)CNc1ccccc1Cl ZINC000575470683 387102678 /nfs/dbraw/zinc/10/26/78/387102678.db2.gz IRRIECZCQFGALO-UHFFFAOYSA-N 0 0 205.635 3.407 10 0 BGAERN Cc1cc(Br)nc2ccsc21 ZINC000575470892 398002705 /nfs/dbraw/zinc/00/27/05/398002705.db2.gz HAUWCOONFZVMBZ-UHFFFAOYSA-N 0 0 228.114 3.367 10 0 BGAERN Clc1nc([C@@H]2CCCSCC2)ns1 ZINC000575470933 387105675 /nfs/dbraw/zinc/10/56/75/387105675.db2.gz OZADVYLJBJAUDE-ZCFIWIBFSA-N 0 0 234.777 3.192 10 0 BGAERN Nc1cccc(-c2cnsc2)c1Cl ZINC000575472232 397954660 /nfs/dbraw/zinc/95/46/60/397954660.db2.gz OIMDKLKJTUVJPW-UHFFFAOYSA-N 0 0 210.689 3.046 10 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/nfs/dbraw/zinc/25/02/16/358250216.db2.gz DMLAQIHXIPILOI-UHFFFAOYSA-N 0 0 210.248 3.063 10 0 BGAERN CCCc1cc(N)ccc1C(F)(F)F ZINC000584592421 358250435 /nfs/dbraw/zinc/25/04/35/358250435.db2.gz DDONLQHTNDXCRE-UHFFFAOYSA-N 0 0 203.207 3.240 10 0 BGAERN COc1cc(OCc2cccc(N)c2)ccc1C ZINC000584592458 358250233 /nfs/dbraw/zinc/25/02/33/358250233.db2.gz DSUBPHKJVBHCFR-UHFFFAOYSA-N 0 0 243.306 3.165 10 0 BGAERN Cc1cc(-c2c(F)ccc(N)c2F)cc(C)n1 ZINC000584592557 358250407 /nfs/dbraw/zinc/25/04/07/358250407.db2.gz LHTGDYUTDVMPGB-UHFFFAOYSA-N 0 0 234.249 3.226 10 0 BGAERN Cc1cc(C=O)cc(OCc2ccccc2)c1 ZINC000584592590 358250562 /nfs/dbraw/zinc/25/05/62/358250562.db2.gz RWCHQSWVGYPXKL-UHFFFAOYSA-N 0 0 226.275 3.387 10 0 BGAERN O=Cc1ccc(SCc2ccccc2)c(O)c1 ZINC000584592596 358251079 /nfs/dbraw/zinc/25/10/79/358251079.db2.gz RWQPQGDSSWTQRR-UHFFFAOYSA-N 0 0 244.315 3.497 10 0 BGAERN O=Cc1cc(Cl)ccc1C1(C(F)F)CC1 ZINC000584592786 358251018 /nfs/dbraw/zinc/25/10/18/358251018.db2.gz VWDWWTHPNZADGI-UHFFFAOYSA-N 0 0 230.641 3.449 10 0 BGAERN CNc1ccc(F)cc1-c1ccnc2[nH]ccc21 ZINC000584592930 358251074 /nfs/dbraw/zinc/25/10/74/358251074.db2.gz HQZGIVQSKUQGBK-UHFFFAOYSA-N 0 0 241.269 3.411 10 0 BGAERN CCCc1ccc(N)cc1OC(F)(F)F ZINC000584592973 358251030 /nfs/dbraw/zinc/25/10/30/358251030.db2.gz SLSDCNMBCBQVBI-UHFFFAOYSA-N 0 0 219.206 3.120 10 0 BGAERN FCc1cc(F)cc(Br)c1 ZINC000584593025 358251078 /nfs/dbraw/zinc/25/10/78/358251078.db2.gz DOUOYKLCOQRKDP-UHFFFAOYSA-N 0 0 207.017 3.058 10 0 BGAERN CC/C(=C\c1ccc(CC)c(OC)c1)[N+](=O)[O-] ZINC000584593059 358251006 /nfs/dbraw/zinc/25/10/06/358251006.db2.gz JXYVMKNOPVYDTK-XYOKQWHBSA-N 0 0 235.283 3.285 10 0 BGAERN COc1cc(C2CC2)c(Br)cc1F ZINC000584593092 358251064 /nfs/dbraw/zinc/25/10/64/358251064.db2.gz PDMIRYMRRGOPND-UHFFFAOYSA-N 0 0 245.091 3.474 10 0 BGAERN O=[N+]([O-])/C=C/c1c(Cl)cc(F)cc1Cl ZINC000584593143 358251089 /nfs/dbraw/zinc/25/10/89/358251089.db2.gz CRLSTASETWSMLT-OWOJBTEDSA-N 0 0 236.029 3.380 10 0 BGAERN COCC/C=C/c1ccc(Br)cc1 ZINC000584593229 358250950 /nfs/dbraw/zinc/25/09/50/358250950.db2.gz XPRVFKZZCADBHH-DUXPYHPUSA-N 0 0 241.128 3.499 10 0 BGAERN c1ccc(OCC2CC2)c(OCC2CC2)c1 ZINC000584593242 358250974 /nfs/dbraw/zinc/25/09/74/358250974.db2.gz LMVFQKLBLWWSLI-UHFFFAOYSA-N 0 0 218.296 3.264 10 0 BGAERN COc1ccccc1C1(C(F)(F)F)CC1 ZINC000584593287 358251058 /nfs/dbraw/zinc/25/10/58/358251058.db2.gz BGIXTZJRLWLMQR-UHFFFAOYSA-N 0 0 216.202 3.289 10 0 BGAERN COCOc1cccc(C(F)(F)F)c1Cl ZINC000584593365 358251386 /nfs/dbraw/zinc/25/13/86/358251386.db2.gz JQQPPKYHVMSCMS-UHFFFAOYSA-N 0 0 240.608 3.342 10 0 BGAERN C/C=C(\F)[C@H](O)CCCc1ccccc1 ZINC000584594498 398077080 /nfs/dbraw/zinc/07/70/80/398077080.db2.gz BDWBZBXNTMOCRL-CRFIOFHNSA-N 0 0 208.276 3.244 10 0 BGAERN C/C=C(\F)[C@@H](O)CCCc1ccccc1 ZINC000584594501 398076996 /nfs/dbraw/zinc/07/69/96/398076996.db2.gz BDWBZBXNTMOCRL-SEIKGNICSA-N 0 0 208.276 3.244 10 0 BGAERN Nc1ccccc1C(=O)SCc1ccccc1 ZINC000584594739 358251953 /nfs/dbraw/zinc/25/19/53/358251953.db2.gz 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246.216 3.363 10 0 BGAERN O=C1CC[C@@H]1Sc1ccc(Cl)cc1 ZINC000584623212 358112565 /nfs/dbraw/zinc/11/25/65/358112565.db2.gz AHFJNTRBEJSFNS-JTQLQIEISA-N 0 0 212.701 3.164 10 0 BGAERN O=C1CC[C@H]1Sc1ccc(Cl)cc1 ZINC000584623219 398078981 /nfs/dbraw/zinc/07/89/81/398078981.db2.gz AHFJNTRBEJSFNS-SNVBAGLBSA-N 0 0 212.701 3.164 10 0 BGAERN Cc1cc2nc(C)cc(-c3cccs3)n2n1 ZINC000584623576 387502802 /nfs/dbraw/zinc/50/28/02/387502802.db2.gz ITFHHOOVLXGKHW-UHFFFAOYSA-N 0 0 229.308 3.075 10 0 BGAERN CC(C)NC(=O)/C=C/C=C/c1cccc(Cl)c1 ZINC000584623876 358291915 /nfs/dbraw/zinc/29/19/15/358291915.db2.gz AKSBRDBXZYVGRI-PLPQCDBPSA-N 0 0 249.741 3.434 10 0 BGAERN Cc1ccc(/C=C/C=C/C(=O)NC(C)C)cc1 ZINC000584623917 358291631 /nfs/dbraw/zinc/29/16/31/358291631.db2.gz HJNXMXQJUIALSA-YDFGWWAZSA-N 0 0 229.323 3.089 10 0 BGAERN CC(C)NC(=O)/C=C/C=C/c1ccccc1Cl ZINC000584624112 358291803 /nfs/dbraw/zinc/29/18/03/358291803.db2.gz WNIGUXIIQHHFQV-GZFKCFCKSA-N 0 0 249.741 3.434 10 0 BGAERN C=C/C=C(\CC(C)C)C(=O)OC(C)(C)C 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358292402 /nfs/dbraw/zinc/29/24/02/358292402.db2.gz GEZWDJHSHGBRNU-VAWYXSNFSA-N 0 0 231.339 3.395 10 0 BGAERN NC(=O)/C=C/C=C1c2ccccc2-c2ccccc21 ZINC000584624469 358292604 /nfs/dbraw/zinc/29/26/04/358292604.db2.gz LMRNMVBURHMJKJ-VZUCSPMQSA-N 0 0 247.297 3.140 10 0 BGAERN NC(=O)/C=C\C=C1c2ccccc2-c2ccccc21 ZINC000584624470 358292325 /nfs/dbraw/zinc/29/23/25/358292325.db2.gz LMRNMVBURHMJKJ-WZUFQYTHSA-N 0 0 247.297 3.140 10 0 BGAERN CCCCn1cc2ccc(Cl)cc2n1 ZINC000584624483 358292427 /nfs/dbraw/zinc/29/24/27/358292427.db2.gz MAKDMPFIUAPHBT-UHFFFAOYSA-N 0 0 208.692 3.490 10 0 BGAERN CCCCc1nc2cc(C)[nH]c2c(Cl)n1 ZINC000584624486 358292461 /nfs/dbraw/zinc/29/24/61/358292461.db2.gz NAKZOSSIPFUNHT-UHFFFAOYSA-N 0 0 223.707 3.262 10 0 BGAERN C/C=C/C(=O)N(CC)c1c(C)cccc1C ZINC000584624507 358292435 /nfs/dbraw/zinc/29/24/35/358292435.db2.gz QKJNZCYCCKJYCN-VMPITWQZSA-N 0 0 217.312 3.232 10 0 BGAERN C/C(C(=O)NCC(C)C)=C(/C)c1ccccc1 ZINC000584624539 358292536 /nfs/dbraw/zinc/29/25/36/358292536.db2.gz 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CC[C@H](C)/C=C/c1csc(N(C)C)n1 ZINC000584625383 358294381 /nfs/dbraw/zinc/29/43/81/358294381.db2.gz SHYQGAQFVIWZPW-UCUJLANTSA-N 0 0 210.346 3.268 10 0 BGAERN CC[C@@H](C)/C=C/c1csc(N(C)C)n1 ZINC000584625384 358294349 /nfs/dbraw/zinc/29/43/49/358294349.db2.gz SHYQGAQFVIWZPW-XCODYQFDSA-N 0 0 210.346 3.268 10 0 BGAERN O=CC(=O)c1ccc2sc3ccccc3c2c1 ZINC000584625430 358294037 /nfs/dbraw/zinc/29/40/37/358294037.db2.gz UHFJKUCNSPDPBS-UHFFFAOYSA-N 0 0 240.283 3.436 10 0 BGAERN Cc1cc2ccc3c(c2oc1=O)C=CC(C)(C)O3 ZINC000584625554 358293968 /nfs/dbraw/zinc/29/39/68/358293968.db2.gz RSNVCRRXSIEAOS-UHFFFAOYSA-N 0 0 242.274 3.286 10 0 BGAERN O=C1Cc2ccccc2[C@@H]1Sc1ccccn1 ZINC000584625622 358294763 /nfs/dbraw/zinc/29/47/63/358294763.db2.gz VPLRLSYGDZMMQD-AWEZNQCLSA-N 0 0 241.315 3.040 10 0 BGAERN O=C1Cc2ccccc2[C@H]1Sc1ccccn1 ZINC000584625623 358294947 /nfs/dbraw/zinc/29/49/47/358294947.db2.gz VPLRLSYGDZMMQD-CQSZACIVSA-N 0 0 241.315 3.040 10 0 BGAERN CCC(O)(CC)C1(c2ccccc2)CCOCC1 ZINC000584625741 358294760 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/nfs/dbraw/zinc/08/24/68/343082468.db2.gz RZAOUVRABOVBCA-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN Cc1ncc(-c2cccc(C=O)c2F)s1 ZINC000584881517 343082510 /nfs/dbraw/zinc/08/25/10/343082510.db2.gz USWBPHKUPHWVMS-UHFFFAOYSA-N 0 0 221.256 3.070 10 0 BGAERN Nc1ncc(-c2cccs2)cc1C(F)(F)F ZINC000584881610 343082681 /nfs/dbraw/zinc/08/26/81/343082681.db2.gz XBZCVVLIYCXVNO-UHFFFAOYSA-N 0 0 244.241 3.411 10 0 BGAERN Nc1ccc([C@H]2CCNc3ccccc32)cc1 ZINC000584881672 343082879 /nfs/dbraw/zinc/08/28/79/343082879.db2.gz ZABJHMSZQGNIIF-CYBMUJFWSA-N 0 0 224.307 3.216 10 0 BGAERN Nc1ccc([C@@H]2CCNc3ccccc32)cc1 ZINC000584881673 343082919 /nfs/dbraw/zinc/08/29/19/343082919.db2.gz ZABJHMSZQGNIIF-ZDUSSCGKSA-N 0 0 224.307 3.216 10 0 BGAERN COc1cc(-c2csc(C)c2)sn1 ZINC000584882071 355833346 /nfs/dbraw/zinc/83/33/46/355833346.db2.gz ZNBNMNQDFIBFCV-UHFFFAOYSA-N 0 0 211.311 3.189 10 0 BGAERN Cc1cc2ncc(N)cc2c(C)c1Cl ZINC000584882105 343082792 /nfs/dbraw/zinc/08/27/92/343082792.db2.gz MCGPRUFAHGWMOO-UHFFFAOYSA-N 0 0 206.676 3.087 10 0 BGAERN CC[C@@H](C)c1ccc2ncc(N)cc2c1 ZINC000584882107 343082852 /nfs/dbraw/zinc/08/28/52/343082852.db2.gz MNRDDDVYXJEOEL-SECBINFHSA-N 0 0 200.285 3.331 10 0 BGAERN CC[C@H](C)c1ccc2ncc(N)cc2c1 ZINC000584882108 343082657 /nfs/dbraw/zinc/08/26/57/343082657.db2.gz MNRDDDVYXJEOEL-VIFPVBQESA-N 0 0 200.285 3.331 10 0 BGAERN Cc1c(Cl)cc2ncc(N)cc2c1Cl ZINC000584882207 343084272 /nfs/dbraw/zinc/08/42/72/343084272.db2.gz UPMLHQYIQLGOBO-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN Cc1cc(Cl)c2ncc(N)cc2c1Cl ZINC000584882254 343084642 /nfs/dbraw/zinc/08/46/42/343084642.db2.gz XFERZYHNBHYKRU-UHFFFAOYSA-N 0 0 227.094 3.432 10 0 BGAERN Nc1cnc2cc(Cl)c(F)c(Cl)c2c1 ZINC000584882287 343084734 /nfs/dbraw/zinc/08/47/34/343084734.db2.gz ZKXQBIKNPOQPCU-UHFFFAOYSA-N 0 0 231.057 3.263 10 0 BGAERN Nc1cnc2ccc(-c3ccccc3)cc2c1 ZINC000584882313 343084615 /nfs/dbraw/zinc/08/46/15/343084615.db2.gz BXGYBFBCNLQDKR-UHFFFAOYSA-N 0 0 220.275 3.484 10 0 BGAERN CNc1c(N)cnc2c(Cl)c(Cl)ccc21 ZINC000584882417 343084738 /nfs/dbraw/zinc/08/47/38/343084738.db2.gz GOHJAIUXETXYRH-UHFFFAOYSA-N 0 0 242.109 3.166 10 0 BGAERN CCc1cccc2c(CC[C@H](C)O)c[nH]c21 ZINC000584882459 343084804 /nfs/dbraw/zinc/08/48/04/343084804.db2.gz JWGZEBHCQNJICG-JTQLQIEISA-N 0 0 217.312 3.044 10 0 BGAERN CCc1cccc2c(CC[C@@H](C)O)c[nH]c21 ZINC000584882460 343084557 /nfs/dbraw/zinc/08/45/57/343084557.db2.gz JWGZEBHCQNJICG-SNVBAGLBSA-N 0 0 217.312 3.044 10 0 BGAERN CCNc1c(N)cnc2c(Cl)c(C)ccc21 ZINC000584882559 343085237 /nfs/dbraw/zinc/08/52/37/343085237.db2.gz KQHPVMSRMWPYCW-UHFFFAOYSA-N 0 0 235.718 3.211 10 0 BGAERN Nc1ncnc2scc(-c3ccsc3)c21 ZINC000584882695 343085036 /nfs/dbraw/zinc/08/50/36/343085036.db2.gz YYEIHQIBGPGNPX-UHFFFAOYSA-N 0 0 233.321 3.002 10 0 BGAERN Nc1ncnc2scc(C3CCCCC3)c21 ZINC000584882704 343085038 /nfs/dbraw/zinc/08/50/38/343085038.db2.gz ZDUVOMZVARLHFL-UHFFFAOYSA-N 0 0 233.340 3.321 10 0 BGAERN CCNc1nc(Cl)cc(C2CCCCC2)n1 ZINC000584882744 343085607 /nfs/dbraw/zinc/08/56/07/343085607.db2.gz OPZPBAJCBJTYIK-UHFFFAOYSA-N 0 0 239.750 3.031 10 0 BGAERN CCNc1c(N)cnc2c(F)c(Cl)ccc21 ZINC000584882750 343085699 /nfs/dbraw/zinc/08/56/99/343085699.db2.gz PBRLLTUAWIUPDF-UHFFFAOYSA-N 0 0 239.681 3.041 10 0 BGAERN O=C(c1cc2c(ccnc2Cl)o1)C1CC1 ZINC000584883219 343085969 /nfs/dbraw/zinc/08/59/69/343085969.db2.gz JEVPFCMRWMVAGO-UHFFFAOYSA-N 0 0 221.643 3.074 10 0 BGAERN CCC(=O)c1cc2c(ccnc2Cl)o1 ZINC000584883274 343085925 /nfs/dbraw/zinc/08/59/25/343085925.db2.gz KDVQTBGFKZWDFS-UHFFFAOYSA-N 0 0 209.632 3.074 10 0 BGAERN CC(C)(C)OC(=O)C1(c2ccccc2N)CCC1 ZINC000584883366 343086274 /nfs/dbraw/zinc/08/62/74/343086274.db2.gz RARLFJWXAGMILB-UHFFFAOYSA-N 0 0 247.338 3.032 10 0 BGAERN COc1cccc2c(C)c(C(C)=O)c(C)nc12 ZINC000584883369 343086255 /nfs/dbraw/zinc/08/62/55/343086255.db2.gz RYRFIDCVYKRINO-UHFFFAOYSA-N 0 0 229.279 3.063 10 0 BGAERN CC(C)(C)OC(=O)C1(c2cccc(N)c2)CCC1 ZINC000584883375 343086238 /nfs/dbraw/zinc/08/62/38/343086238.db2.gz SYENXPQUZHJLHW-UHFFFAOYSA-N 0 0 247.338 3.032 10 0 BGAERN CC(C)C(=O)c1cc2c(ccnc2Cl)o1 ZINC000584883579 343086614 /nfs/dbraw/zinc/08/66/14/343086614.db2.gz VJEKRYIWAJHVJF-UHFFFAOYSA-N 0 0 223.659 3.320 10 0 BGAERN OCCCc1cccc(OC2CCCCC2)c1 ZINC000584907143 491126192 /nfs/dbraw/zinc/12/61/92/491126192.db2.gz FRABBQXLSUWFFM-UHFFFAOYSA-N 0 0 234.339 3.323 10 0 BGAERN OCCCc1ccc(OC2CCCCC2)cc1 ZINC000584907149 491126186 /nfs/dbraw/zinc/12/61/86/491126186.db2.gz MYTSSQQFYAGTSJ-UHFFFAOYSA-N 0 0 234.339 3.323 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1cccc(CCO)c1 ZINC000584907150 491126176 /nfs/dbraw/zinc/12/61/76/491126176.db2.gz NXTDFHNLMVJLKP-DOMZBBRYSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1cccc(CCO)c1 ZINC000584907151 491126180 /nfs/dbraw/zinc/12/61/80/491126180.db2.gz NXTDFHNLMVJLKP-IUODEOHRSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1cccc(CCO)c1 ZINC000584907152 491126171 /nfs/dbraw/zinc/12/61/71/491126171.db2.gz NXTDFHNLMVJLKP-SWLSCSKDSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1cccc(CCO)c1 ZINC000584907153 491126178 /nfs/dbraw/zinc/12/61/78/491126178.db2.gz NXTDFHNLMVJLKP-WFASDCNBSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccccc1CCO ZINC000584907155 491126173 /nfs/dbraw/zinc/12/61/73/491126173.db2.gz UBTYYOFOBDRSFA-GXTWGEPZSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccccc1CCO ZINC000584907156 491126188 /nfs/dbraw/zinc/12/61/88/491126188.db2.gz UBTYYOFOBDRSFA-JSGCOSHPSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccccc1CCO ZINC000584907157 491126166 /nfs/dbraw/zinc/12/61/66/491126166.db2.gz UBTYYOFOBDRSFA-OCCSQVGLSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccccc1CCO ZINC000584907158 491126169 /nfs/dbraw/zinc/12/61/69/491126169.db2.gz UBTYYOFOBDRSFA-TZMCWYRMSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(CCO)cc1 ZINC000584907163 491126190 /nfs/dbraw/zinc/12/61/90/491126190.db2.gz XGEGDYPNKVMWGI-DOMZBBRYSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@@H]1CCCC[C@H]1Oc1ccc(CCO)cc1 ZINC000584907164 491126182 /nfs/dbraw/zinc/12/61/82/491126182.db2.gz XGEGDYPNKVMWGI-IUODEOHRSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@H]1Oc1ccc(CCO)cc1 ZINC000584907165 491126181 /nfs/dbraw/zinc/12/61/81/491126181.db2.gz XGEGDYPNKVMWGI-SWLSCSKDSA-N 0 0 234.339 3.179 10 0 BGAERN C[C@H]1CCCC[C@@H]1Oc1ccc(CCO)cc1 ZINC000584907166 491126189 /nfs/dbraw/zinc/12/61/89/491126189.db2.gz XGEGDYPNKVMWGI-WFASDCNBSA-N 0 0 234.339 3.179 10 0 BGAERN OCCCc1ccccc1OC1CCCCC1 ZINC000584907167 490339741 /nfs/dbraw/zinc/33/97/41/490339741.db2.gz YKSHETIGSRFUGC-UHFFFAOYSA-N 0 0 234.339 3.323 10 0 BGAERN CN1CCc2cc(Br)cc(Cl)c21 ZINC000585672555 346652029 /nfs/dbraw/zinc/65/20/29/346652029.db2.gz MVWWXDKWHYGZME-UHFFFAOYSA-N 0 0 246.535 3.095 10 0 BGAERN COc1cnc2cc(C(F)(F)F)ccc2c1 ZINC000585672646 346652359 /nfs/dbraw/zinc/65/23/59/346652359.db2.gz HVQMIPLEAYMVJN-UHFFFAOYSA-N 0 0 227.185 3.262 10 0 BGAERN Cc1[nH]nc2c1c(Br)ccc2Cl ZINC000585672733 346652639 /nfs/dbraw/zinc/65/26/39/346652639.db2.gz WBOYJNGNJKDVGS-UHFFFAOYSA-N 0 0 245.507 3.287 10 0 BGAERN Cc1cc(Cl)c(C(=O)OC(C)(C)C)cc1O ZINC000585681284 346653719 /nfs/dbraw/zinc/65/37/19/346653719.db2.gz NCZHBGUTIFCVNI-UHFFFAOYSA-N 0 0 242.702 3.309 10 0 BGAERN FC(F)(F)c1cccc2ncc(Cl)n21 ZINC000585681327 346653635 /nfs/dbraw/zinc/65/36/35/346653635.db2.gz HWCPZQPQFAWZIK-UHFFFAOYSA-N 0 0 220.581 3.007 10 0 BGAERN CC(=O)c1c(C)c(F)c(Cl)nc1Cl ZINC000585681334 346653697 /nfs/dbraw/zinc/65/36/97/346653697.db2.gz KFTRRFFLPDRASC-UHFFFAOYSA-N 0 0 222.046 3.039 10 0 BGAERN CC[C@H](NC(=O)N[C@H]1CC[C@H](C)CC1)C(C)C ZINC000594977476 348163684 /nfs/dbraw/zinc/16/36/84/348163684.db2.gz UUYFFFOIMJGQBW-AVGNSLFASA-N 0 0 240.391 3.299 10 0 BGAERN CC[C@@H](NC(=O)N[C@H]1CC[C@H](C)CC1)C(C)C ZINC000594977477 348163360 /nfs/dbraw/zinc/16/33/60/348163360.db2.gz UUYFFFOIMJGQBW-JHJVBQTASA-N 0 0 240.391 3.299 10 0 BGAERN CCc1ccc(/C=C/Br)o1 ZINC000606275469 538930154 /nfs/dbraw/zinc/93/01/54/538930154.db2.gz ACHQDLCWMQCLRP-AATRIKPKSA-N 0 0 201.063 3.208 10 0 BGAERN Cc1sccc1/C=C/Br ZINC000606276510 538930031 /nfs/dbraw/zinc/93/00/31/538930031.db2.gz BXUBQIZPRZVRSX-DUXPYHPUSA-N 0 0 203.104 3.422 10 0 BGAERN Cc1ccc(/C=C/Br)s1 ZINC000606276667 538930256 /nfs/dbraw/zinc/93/02/56/538930256.db2.gz UCGHPSILKBZKKX-SNAWJCMRSA-N 0 0 203.104 3.422 10 0 BGAERN COc1ccc2c(Cl)ccnc2c1F ZINC000606281383 538929823 /nfs/dbraw/zinc/92/98/23/538929823.db2.gz PSNBCVKBCROBDG-UHFFFAOYSA-N 0 0 211.623 3.036 10 0 BGAERN Cc1cc(F)ccc1/C=C/Br ZINC000606282565 538929440 /nfs/dbraw/zinc/92/94/40/538929440.db2.gz FAFVCTOAZJSMQN-SNAWJCMRSA-N 0 0 215.065 3.500 10 0 BGAERN Cc1cccc(/C=C/Br)c1F ZINC000606282641 538929787 /nfs/dbraw/zinc/92/97/87/538929787.db2.gz MBEQLIRDHRGTNS-AATRIKPKSA-N 0 0 215.065 3.500 10 0 BGAERN Cc1ccc(F)cc1/C=C/Br ZINC000606282707 538929631 /nfs/dbraw/zinc/92/96/31/538929631.db2.gz SQMUCLKNGZFQDS-SNAWJCMRSA-N 0 0 215.065 3.500 10 0 BGAERN Cc1ccc(/C=C/Br)cc1F ZINC000606282749 538929655 /nfs/dbraw/zinc/92/96/55/538929655.db2.gz STZDLOOQGSQKGX-SNAWJCMRSA-N 0 0 215.065 3.500 10 0 BGAERN Cc1cc(/C=C/Br)ccc1F ZINC000606282791 538929620 /nfs/dbraw/zinc/92/96/20/538929620.db2.gz XECVTSZDKRNDGB-SNAWJCMRSA-N 0 0 215.065 3.500 10 0 BGAERN Cc1ccc(F)c(/C=C/Br)c1 ZINC000606282809 541404596 /nfs/dbraw/zinc/40/45/96/541404596.db2.gz YFGLGNUXMFPUJR-SNAWJCMRSA-N 0 0 215.065 3.500 10 0 BGAERN Fc1ccc(F)c(/C=C/Br)c1 ZINC000606285284 538929737 /nfs/dbraw/zinc/92/97/37/538929737.db2.gz QFOYQDVQBBOIGY-ONEGZZNKSA-N 0 0 219.028 3.330 10 0 BGAERN Fc1cccc(/C=C/Br)c1F ZINC000606285578 538929684 /nfs/dbraw/zinc/92/96/84/538929684.db2.gz ZRPYKVCNGNYUMG-SNAWJCMRSA-N 0 0 219.028 3.330 10 0 BGAERN CC[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000606287780 351486804 /nfs/dbraw/zinc/48/68/04/351486804.db2.gz RCPWMYKCDQDFNU-LLVKDONJSA-N 0 0 227.348 3.434 10 0 BGAERN CC[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000606287781 351486768 /nfs/dbraw/zinc/48/67/68/351486768.db2.gz RCPWMYKCDQDFNU-NSHDSACASA-N 0 0 227.348 3.434 10 0 BGAERN Clc1cc(Cl)nc([C@@H]2CCCCO2)n1 ZINC000606289116 397979983 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AKSNBECIJADQLG-NSHDSACASA-N 0 0 224.307 3.216 10 0 BGAERN CCN1CC[C@H](c2cocn2)c2ccccc21 ZINC000616674200 351238730 /nfs/dbraw/zinc/23/87/30/351238730.db2.gz BTDPLODDHDLPPO-NSHDSACASA-N 0 0 228.295 3.037 10 0 BGAERN CC(C)N1CC[C@H](c2ccno2)c2ccccc21 ZINC000616674207 351238991 /nfs/dbraw/zinc/23/89/91/351238991.db2.gz BVCBKNDQQAKYEX-ZDUSSCGKSA-N 0 0 242.322 3.425 10 0 BGAERN CC(C)N1C[C@@H](c2ccno2)Cc2ccccc21 ZINC000616674223 351238903 /nfs/dbraw/zinc/23/89/03/351238903.db2.gz XIINAHVYSABFGG-ZDUSSCGKSA-N 0 0 242.322 3.229 10 0 BGAERN CCN1CC[C@H](c2ncco2)c2ccccc21 ZINC000616674273 351238989 /nfs/dbraw/zinc/23/89/89/351238989.db2.gz CQTFJZAFEYDWJJ-LBPRGKRZSA-N 0 0 228.295 3.037 10 0 BGAERN CN1CC[C@H](OC(F)(F)F)c2ccccc21 ZINC000616674314 351238694 /nfs/dbraw/zinc/23/86/94/351238694.db2.gz DHXNTLLDACBOOS-JTQLQIEISA-N 0 0 231.217 3.104 10 0 BGAERN CC(=O)[C@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616674364 351238724 /nfs/dbraw/zinc/23/87/24/351238724.db2.gz ZNTXTBCSNOBAOO-ZDUSSCGKSA-N 0 0 231.339 3.053 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3.051 10 0 BGAERN CCc1cccc2cc(O)c(C(F)F)nc21 ZINC000685963353 538912181 /nfs/dbraw/zinc/91/21/81/538912181.db2.gz MMGCMTLDYYAQNE-UHFFFAOYSA-N 0 0 223.222 3.440 10 0 BGAERN Oc1cc2cccc(F)c2nc1C1CCC1 ZINC000685963360 538912602 /nfs/dbraw/zinc/91/26/02/538912602.db2.gz MODKZBFLUUNZNC-UHFFFAOYSA-N 0 0 217.243 3.347 10 0 BGAERN Oc1cc2c(Cl)cccc2nc1C1CC1 ZINC000685963362 538912486 /nfs/dbraw/zinc/91/24/86/538912486.db2.gz MPGBERRJZCBILE-UHFFFAOYSA-N 0 0 219.671 3.471 10 0 BGAERN CC(C)c1nc2ccc(Cl)cc2cc1NN ZINC000685963371 538912299 /nfs/dbraw/zinc/91/22/99/538912299.db2.gz MSMFDYUUFFHEAJ-UHFFFAOYSA-N 0 0 235.718 3.297 10 0 BGAERN CC(C)(C)c1nc2cc(F)ccc2cc1O ZINC000685963373 538912288 /nfs/dbraw/zinc/91/22/88/538912288.db2.gz MUJWOZDMSOZLJG-UHFFFAOYSA-N 0 0 219.259 3.377 10 0 BGAERN CCc1nc2cccc(Cl)c2cc1O ZINC000685963380 538912623 /nfs/dbraw/zinc/91/26/23/538912623.db2.gz NBWYXDHQJHCBCL-UHFFFAOYSA-N 0 0 207.660 3.156 10 0 BGAERN Oc1cc2ccc(F)cc2nc1C(F)(F)F ZINC000685963395 538912972 /nfs/dbraw/zinc/91/29/72/538912972.db2.gz NHERBBFSQWXCTI-UHFFFAOYSA-N 0 0 231.148 3.098 10 0 BGAERN Oc1cc2ccc(F)cc2nc1C(F)F ZINC000685963422 538912821 /nfs/dbraw/zinc/91/28/21/538912821.db2.gz NYXWDCYMLKVUSV-UHFFFAOYSA-N 0 0 213.158 3.017 10 0 BGAERN CC(C)c1nc2c(F)cccc2cc1O ZINC000685963424 538912791 /nfs/dbraw/zinc/91/27/91/538912791.db2.gz OEAWXOZFMOMBJL-UHFFFAOYSA-N 0 0 205.232 3.203 10 0 BGAERN CCc1ccc2nc(C3CC3)c(O)cc2c1 ZINC000685963441 538910191 /nfs/dbraw/zinc/91/01/91/538910191.db2.gz OMOALKJQBWIGOH-UHFFFAOYSA-N 0 0 213.280 3.380 10 0 BGAERN Oc1cc2cccc(Cl)c2nc1C1CC1 ZINC000685963452 538910097 /nfs/dbraw/zinc/91/00/97/538910097.db2.gz OSVAKDGIDHEBEJ-UHFFFAOYSA-N 0 0 219.671 3.471 10 0 BGAERN NNc1cc2cc(Cl)ccc2nc1C(F)F ZINC000685963459 538910022 /nfs/dbraw/zinc/91/00/22/538910022.db2.gz OVQHQBBKGZKEJL-UHFFFAOYSA-N 0 0 243.644 3.111 10 0 BGAERN CCc1nc2cc(Cl)ccc2cc1O ZINC000685963477 538909990 /nfs/dbraw/zinc/90/99/90/538909990.db2.gz PLNNRPGTIFZJIC-UHFFFAOYSA-N 0 0 207.660 3.156 10 0 BGAERN CC(C)c1nc2cccc(Cl)c2cc1NN ZINC000685963478 538910137 /nfs/dbraw/zinc/91/01/37/538910137.db2.gz PLVQQQZIWXCBPS-UHFFFAOYSA-N 0 0 235.718 3.297 10 0 BGAERN Oc1cc2cc(F)ccc2nc1C1CCC1 ZINC000685963480 538910217 /nfs/dbraw/zinc/91/02/17/538910217.db2.gz PMWIHVNFCKKLNJ-UHFFFAOYSA-N 0 0 217.243 3.347 10 0 BGAERN Oc1cc2cc(F)ccc2nc1C(F)(F)F ZINC000685963485 538910075 /nfs/dbraw/zinc/91/00/75/538910075.db2.gz PTDSHJLGUPIBQK-UHFFFAOYSA-N 0 0 231.148 3.098 10 0 BGAERN COc1cccc2nc(C(C)C)c(O)cc21 ZINC000685963486 538910204 /nfs/dbraw/zinc/91/02/04/538910204.db2.gz PUOCCQRIKJIKKC-UHFFFAOYSA-N 0 0 217.268 3.072 10 0 BGAERN Cc1ccc2nc(CC3CC3)c(O)cc2c1 ZINC000685963523 538910170 /nfs/dbraw/zinc/91/01/70/538910170.db2.gz REHZXMFHKQQWBU-UHFFFAOYSA-N 0 0 213.280 3.201 10 0 BGAERN Cc1ccc2nc(C(F)F)c(O)cc2c1 ZINC000685963536 537945819 /nfs/dbraw/zinc/94/58/19/537945819.db2.gz ROYKYYHTHDBODH-UHFFFAOYSA-N 0 0 209.195 3.186 10 0 BGAERN Oc1cc2cccc(F)c2nc1C(F)(F)F ZINC000685963546 538910481 /nfs/dbraw/zinc/91/04/81/538910481.db2.gz RYLOQBMRYPXKCV-UHFFFAOYSA-N 0 0 231.148 3.098 10 0 BGAERN CCc1nc2c(Cl)cccc2cc1O ZINC000685963559 538910612 /nfs/dbraw/zinc/91/06/12/538910612.db2.gz SGECBLQDHSJYOI-UHFFFAOYSA-N 0 0 207.660 3.156 10 0 BGAERN Cc1cccc2cc(O)c(C(C)C)nc12 ZINC000685963565 538910513 /nfs/dbraw/zinc/91/05/13/538910513.db2.gz SRIKSEJMQMZQAP-UHFFFAOYSA-N 0 0 201.269 3.372 10 0 BGAERN NNc1cc2ccc(Cl)cc2nc1C(F)F ZINC000685963580 538910679 /nfs/dbraw/zinc/91/06/79/538910679.db2.gz SYPYIZFVSYVRRO-UHFFFAOYSA-N 0 0 243.644 3.111 10 0 BGAERN Cc1nc2cc(Br)ccc2cc1O ZINC000685963595 538910581 /nfs/dbraw/zinc/91/05/81/538910581.db2.gz TXJQUFHGWTWNEY-UHFFFAOYSA-N 0 0 238.084 3.011 10 0 BGAERN Cc1cccc(/C=C/Br)c1O ZINC000685963616 538910677 /nfs/dbraw/zinc/91/06/77/538910677.db2.gz ANLWEIYQYFQHRB-AATRIKPKSA-N 0 0 213.074 3.066 10 0 BGAERN CCCc1nc2c(C)cccc2cc1O ZINC000685963631 538910534 /nfs/dbraw/zinc/91/05/34/538910534.db2.gz UJWPJHUBGTXKMY-UHFFFAOYSA-N 0 0 201.269 3.201 10 0 BGAERN Cc1cccc2cc(O)c(C(F)F)nc12 ZINC000685963638 538910589 /nfs/dbraw/zinc/91/05/89/538910589.db2.gz USFVOGCYVCXPTN-UHFFFAOYSA-N 0 0 209.195 3.186 10 0 BGAERN CC(C)c1nc2cc(F)ccc2cc1O ZINC000685963639 538910574 /nfs/dbraw/zinc/91/05/74/538910574.db2.gz USYOTOYHWAZBTL-UHFFFAOYSA-N 0 0 205.232 3.203 10 0 BGAERN CC(C)c1nc2ccc(F)cc2cc1O ZINC000685963652 538910602 /nfs/dbraw/zinc/91/06/02/538910602.db2.gz VABHKOTWOIBJIB-UHFFFAOYSA-N 0 0 205.232 3.203 10 0 BGAERN CCCc1nc2cccc(Cl)c2cc1NN ZINC000685963654 538910571 /nfs/dbraw/zinc/91/05/71/538910571.db2.gz VDZWPFNTLMKSRQ-UHFFFAOYSA-N 0 0 235.718 3.126 10 0 BGAERN CCCc1nc2ccc(C)cc2cc1O ZINC000685963655 538910403 /nfs/dbraw/zinc/91/04/03/538910403.db2.gz VGPJMDMSBROCRI-UHFFFAOYSA-N 0 0 201.269 3.201 10 0 BGAERN COc1ccc(/C=C/Br)c(OC)c1 ZINC000685963659 538910401 /nfs/dbraw/zinc/91/04/01/538910401.db2.gz BJKFPNUMCFZGLF-AATRIKPKSA-N 0 0 243.100 3.069 10 0 BGAERN Oc1cc2ccc(F)cc2nc1CC1CC1 ZINC000685963662 538910388 /nfs/dbraw/zinc/91/03/88/538910388.db2.gz VJIXCOUQDQADAT-UHFFFAOYSA-N 0 0 217.243 3.032 10 0 BGAERN NNc1cc2ccc(Cl)cc2nc1C1CC1 ZINC000685963681 538910419 /nfs/dbraw/zinc/91/04/19/538910419.db2.gz VNLXMXKRTCPOAR-UHFFFAOYSA-N 0 0 233.702 3.051 10 0 BGAERN Cc1ccc(/C=C/Br)c(O)c1 ZINC000685963689 538910539 /nfs/dbraw/zinc/91/05/39/538910539.db2.gz BZCJLDXFVSBKOW-SNAWJCMRSA-N 0 0 213.074 3.066 10 0 BGAERN CC[C@@H](C)c1nc2ccccc2cc1NN ZINC000685963695 538910356 /nfs/dbraw/zinc/91/03/56/538910356.db2.gz VVWIXAVGTJQLPN-SECBINFHSA-N 0 0 215.300 3.034 10 0 BGAERN CC[C@H](C)c1nc2ccccc2cc1NN ZINC000685963696 538910405 /nfs/dbraw/zinc/91/04/05/538910405.db2.gz VVWIXAVGTJQLPN-VIFPVBQESA-N 0 0 215.300 3.034 10 0 BGAERN CCc1ncc(/C=C/Br)s1 ZINC000685963703 538910617 /nfs/dbraw/zinc/91/06/17/538910617.db2.gz COZPHBLPLCPGPL-ONEGZZNKSA-N 0 0 218.119 3.071 10 0 BGAERN CC(C)c1nc2cc(Cl)ccc2cc1NN ZINC000685963721 538910451 /nfs/dbraw/zinc/91/04/51/538910451.db2.gz WBCOXUCURUKKMM-UHFFFAOYSA-N 0 0 235.718 3.297 10 0 BGAERN CCOc1cc(/C=C/Br)ccc1O ZINC000685963725 538910383 /nfs/dbraw/zinc/91/03/83/538910383.db2.gz DBUWCXIHIJYZDF-AATRIKPKSA-N 0 0 243.100 3.157 10 0 BGAERN CCc1cccc2cc(O)c(CC)nc21 ZINC000685963745 538910511 /nfs/dbraw/zinc/91/05/11/538910511.db2.gz WLPRKIVNUWMQOT-UHFFFAOYSA-N 0 0 201.269 3.065 10 0 BGAERN CCCc1nc2cc(F)ccc2cc1O ZINC000685963750 538910485 /nfs/dbraw/zinc/91/04/85/538910485.db2.gz WRHLHXGJBCUFDA-UHFFFAOYSA-N 0 0 205.232 3.032 10 0 BGAERN CC(C)(C)c1nc2c(F)cccc2cc1O ZINC000685963820 538910830 /nfs/dbraw/zinc/91/08/30/538910830.db2.gz XROZHGOKLMTTND-UHFFFAOYSA-N 0 0 219.259 3.377 10 0 BGAERN Cc1ccc2nc(C(F)(F)F)c(O)cc2c1 ZINC000685963837 538910779 /nfs/dbraw/zinc/91/07/79/538910779.db2.gz YEGPSCKMRVAGOD-UHFFFAOYSA-N 0 0 227.185 3.268 10 0 BGAERN Oc1cc2ccc(F)cc2nc1C1CCC1 ZINC000685963847 538910834 /nfs/dbraw/zinc/91/08/34/538910834.db2.gz YJURHNIAEKJTKS-UHFFFAOYSA-N 0 0 217.243 3.347 10 0 BGAERN CC[C@H](C)c1nc2ccc(N)cc2cc1O ZINC000685963859 538910687 /nfs/dbraw/zinc/91/06/87/538910687.db2.gz YRKWABCIUIVSEZ-QMMMGPOBSA-N 0 0 216.284 3.036 10 0 BGAERN Oc1c(F)cc(F)cc1/C=C/Br ZINC000685963895 538910817 /nfs/dbraw/zinc/91/08/17/538910817.db2.gz HZSGEDVPMHYCFO-OWOJBTEDSA-N 0 0 235.027 3.036 10 0 BGAERN CCCc1nc2c(F)cccc2cc1O ZINC000685963921 538910888 /nfs/dbraw/zinc/91/08/88/538910888.db2.gz ZOAVJTHUZGHVEJ-UHFFFAOYSA-N 0 0 205.232 3.032 10 0 BGAERN COc1cccc2cc(O)c(C(C)C)nc21 ZINC000685963941 538910892 /nfs/dbraw/zinc/91/08/92/538910892.db2.gz ZYINUKZQJCEIAW-UHFFFAOYSA-N 0 0 217.268 3.072 10 0 BGAERN COc1cc(/C=C/Br)ccc1C ZINC000685963942 538910763 /nfs/dbraw/zinc/91/07/63/538910763.db2.gz JAQFWNGJMKRHAT-AATRIKPKSA-N 0 0 227.101 3.369 10 0 BGAERN Cc1cc(/C=C/Br)c(C)n1C ZINC000685963956 585028529 /nfs/dbraw/zinc/02/85/29/585028529.db2.gz KCYPCJRHYZLQQP-SNAWJCMRSA-N 0 0 214.106 3.008 10 0 BGAERN CCOc1cccc(/C=C/Br)c1 ZINC000685964060 541498008 /nfs/dbraw/zinc/49/80/08/541498008.db2.gz SKTDUXOATMFBGY-VOTSOKGWSA-N 0 0 227.101 3.451 10 0 BGAERN CCn1c(C)cc(/C=C/Br)c1C ZINC000685964061 541498144 /nfs/dbraw/zinc/49/81/44/541498144.db2.gz SLVFKOSYJPPQFS-AATRIKPKSA-N 0 0 228.133 3.490 10 0 BGAERN CN(C)c1ccc(/C=C/Br)s1 ZINC000685964072 541498085 /nfs/dbraw/zinc/49/80/85/541498085.db2.gz TXMQDVHRGSYJNL-AATRIKPKSA-N 0 0 232.146 3.180 10 0 BGAERN Cc1cc(/C=C/Br)cc(C)c1O ZINC000685964079 541498106 /nfs/dbraw/zinc/49/81/06/541498106.db2.gz UIKPVFVSUZLGFP-ONEGZZNKSA-N 0 0 227.101 3.375 10 0 BGAERN CSc1cc(N)cc2c1ccn2C(F)F ZINC000685964205 538911229 /nfs/dbraw/zinc/91/12/29/538911229.db2.gz NNAQINFOYNLQBH-UHFFFAOYSA-N 0 0 228.267 3.341 10 0 BGAERN COc1ccc(/C=C/Br)s1 ZINC000685964320 538911159 /nfs/dbraw/zinc/91/11/59/538911159.db2.gz ACSQYDDWULEQNY-SNAWJCMRSA-N 0 0 219.103 3.122 10 0 BGAERN CC(C)c1nnc(/C=C/Br)s1 ZINC000685964333 538911047 /nfs/dbraw/zinc/91/10/47/538911047.db2.gz APBHLRVRFZNWTC-ONEGZZNKSA-N 0 0 233.134 3.027 10 0 BGAERN CC(C)[C@@H]1C[C@H](/C=C/Br)CCO1 ZINC000685964446 644519300 /nfs/dbraw/zinc/51/93/00/644519300.db2.gz HRTGJTYQYOALLW-AEJJFCSLSA-N 0 0 233.149 3.346 10 0 BGAERN CC(C)[C@H]1C[C@@H](/C=C/Br)CCO1 ZINC000685964447 644519225 /nfs/dbraw/zinc/51/92/25/644519225.db2.gz HRTGJTYQYOALLW-AETUYUCGSA-N 0 0 233.149 3.346 10 0 BGAERN CC(C)[C@@H]1C[C@@H](/C=C/Br)CCO1 ZINC000685964448 644519308 /nfs/dbraw/zinc/51/93/08/644519308.db2.gz HRTGJTYQYOALLW-GMRPRLDHSA-N 0 0 233.149 3.346 10 0 BGAERN CC(C)[C@H]1C[C@H](/C=C/Br)CCO1 ZINC000685964449 644519283 /nfs/dbraw/zinc/51/92/83/644519283.db2.gz HRTGJTYQYOALLW-OTIHIVFHSA-N 0 0 233.149 3.346 10 0 BGAERN CC(C)(O)c1ccc(/C=C/Br)cc1 ZINC000685964453 644519265 /nfs/dbraw/zinc/51/92/65/644519265.db2.gz HYNPKMKQAMCARW-BQYQJAHWSA-N 0 0 241.128 3.280 10 0 BGAERN COCCCC1(/C=C/Br)CCC1 ZINC000685964612 541498218 /nfs/dbraw/zinc/49/82/18/541498218.db2.gz PQBRWSFTWHEUOK-BQYQJAHWSA-N 0 0 233.149 3.492 10 0 BGAERN CC(C)(C)C1CCC2(CCNC(=O)O2)CC1 ZINC000685964683 566488340 /nfs/dbraw/zinc/48/83/40/566488340.db2.gz RXNRFWBTESAAQL-UHFFFAOYSA-N 0 0 225.332 3.091 10 0 BGAERN Cc1cc(O)ccc1/C=C/Br ZINC000685964687 566488330 /nfs/dbraw/zinc/48/83/30/566488330.db2.gz SBMHYBPBIARMPP-SNAWJCMRSA-N 0 0 213.074 3.066 10 0 BGAERN C=C(OCC)c1ccc(C(=O)CC)cc1 ZINC000685964691 566488245 /nfs/dbraw/zinc/48/82/45/566488245.db2.gz BSLCFPOTFCAIPZ-UHFFFAOYSA-N 0 0 204.269 3.287 10 0 BGAERN CSC1(/C=C/Br)CCC1 ZINC000685964693 566488284 /nfs/dbraw/zinc/48/82/84/566488284.db2.gz SDQFFMPJABDIDH-AATRIKPKSA-N 0 0 207.136 3.181 10 0 BGAERN COCc1csc(/C=C/Br)c1 ZINC000685964696 566488213 /nfs/dbraw/zinc/48/82/13/566488213.db2.gz SEMYVHKKUZXLIO-NSCUHMNNSA-N 0 0 233.130 3.260 10 0 BGAERN C=C(OCC)c1nnc(Cl)c2ccccc21 ZINC000685964700 566488353 /nfs/dbraw/zinc/48/83/53/566488353.db2.gz BWEIRQPPBKSSBA-UHFFFAOYSA-N 0 0 234.686 3.290 10 0 BGAERN C=C(OCC)c1ccc(C(F)(F)F)cc1N ZINC000685965055 538911466 /nfs/dbraw/zinc/91/14/66/538911466.db2.gz MJRKOVQBNHBLPU-UHFFFAOYSA-N 0 0 231.217 3.295 10 0 BGAERN C=C(OCC)c1cc(C(C)C)nc(Cl)n1 ZINC000685965075 538911499 /nfs/dbraw/zinc/91/14/99/538911499.db2.gz OABGUOCDDNYYNL-UHFFFAOYSA-N 0 0 226.707 3.261 10 0 BGAERN C=C(OCC)c1cc(Cl)nc(C(C)C)n1 ZINC000685965079 538911584 /nfs/dbraw/zinc/91/15/84/538911584.db2.gz OFHLYUDBZMUYDR-UHFFFAOYSA-N 0 0 226.707 3.261 10 0 BGAERN C=C(OCC)c1ccc(Cl)cc1C=O ZINC000685965087 538911366 /nfs/dbraw/zinc/91/13/66/538911366.db2.gz OLQLGQORUCPOPY-UHFFFAOYSA-N 0 0 210.660 3.160 10 0 BGAERN C=C(OCC)c1cc(Cl)nc(CCC)n1 ZINC000685965110 538911553 /nfs/dbraw/zinc/91/15/53/538911553.db2.gz PFFDFJRLGFVKQL-UHFFFAOYSA-N 0 0 226.707 3.090 10 0 BGAERN C=C(OCC)c1nc(C2CC2)nc(Cl)c1C ZINC000685965132 538911447 /nfs/dbraw/zinc/91/14/47/538911447.db2.gz PRQIWOVAOFFQRC-UHFFFAOYSA-N 0 0 238.718 3.323 10 0 BGAERN C=C(OCC)c1ncnc(Cl)c1CCC ZINC000685965145 538911577 /nfs/dbraw/zinc/91/15/77/538911577.db2.gz QDUMUHCSQBGFSG-UHFFFAOYSA-N 0 0 226.707 3.090 10 0 BGAERN C=C(OCC)c1cc(Cl)ccc1C=O ZINC000685965148 538911552 /nfs/dbraw/zinc/91/15/52/538911552.db2.gz QEZSNKRPHPOMCP-UHFFFAOYSA-N 0 0 210.660 3.160 10 0 BGAERN C=C(OCC)c1nc2ccccc2nc1Cl ZINC000685965152 538911325 /nfs/dbraw/zinc/91/13/25/538911325.db2.gz QTGYXIMBTZLKPR-UHFFFAOYSA-N 0 0 234.686 3.290 10 0 BGAERN C=C(OCC)c1cccc2c1NCCC2 ZINC000685965156 538911436 /nfs/dbraw/zinc/91/14/36/538911436.db2.gz RABVAWCBCBUZSZ-UHFFFAOYSA-N 0 0 203.285 3.052 10 0 BGAERN C=C(OCC)c1cc(F)ccc1C(C)=O ZINC000685965211 538911380 /nfs/dbraw/zinc/91/13/80/538911380.db2.gz UEANJMLLUQZSBY-UHFFFAOYSA-N 0 0 208.232 3.036 10 0 BGAERN C=C(OCC)c1nc(Cl)nc2sccc21 ZINC000685965219 538911475 /nfs/dbraw/zinc/91/14/75/538911475.db2.gz UMSLUUCKGNDSMH-UHFFFAOYSA-N 0 0 240.715 3.352 10 0 BGAERN C=C(OCC)c1cc(F)cc(Cl)c1N ZINC000685965226 538911626 /nfs/dbraw/zinc/91/16/26/538911626.db2.gz UQLBGLISNKWKRG-UHFFFAOYSA-N 0 0 215.655 3.069 10 0 BGAERN C=C(OCC)c1ccc(Cl)c(C=O)c1 ZINC000685965238 538911421 /nfs/dbraw/zinc/91/14/21/538911421.db2.gz VLBGEGNMZAOZSZ-UHFFFAOYSA-N 0 0 210.660 3.160 10 0 BGAERN C=C(OCC)c1ccc2c(c1)CCCN2 ZINC000685965297 538911409 /nfs/dbraw/zinc/91/14/09/538911409.db2.gz YOMHGIAJFCPSKB-UHFFFAOYSA-N 0 0 203.285 3.052 10 0 BGAERN C=C(OCC)c1nc(CCC)nc(Cl)c1C ZINC000685965317 538911286 /nfs/dbraw/zinc/91/12/86/538911286.db2.gz ZNODYKNUWCYBPR-UHFFFAOYSA-N 0 0 240.734 3.398 10 0 BGAERN C=C(OCC)c1cc(C(C)=O)ccc1F ZINC000685965395 538911800 /nfs/dbraw/zinc/91/18/00/538911800.db2.gz CFOFYHWXSWTDPU-UHFFFAOYSA-N 0 0 208.232 3.036 10 0 BGAERN C=C(OCC)c1cc(N)cc(Br)c1 ZINC000685965430 538911724 /nfs/dbraw/zinc/91/17/24/538911724.db2.gz DCSZIUJHQXJKSZ-UHFFFAOYSA-N 0 0 242.116 3.039 10 0 BGAERN C=C(OCC)c1cc(Cl)c(F)cc1O ZINC000685965516 538912064 /nfs/dbraw/zinc/91/20/64/538912064.db2.gz HTBQNZJCRHCKMU-UHFFFAOYSA-N 0 0 216.639 3.192 10 0 BGAERN C=C(OCC)c1cccc(C(=O)CC)c1 ZINC000685965651 538912387 /nfs/dbraw/zinc/91/23/87/538912387.db2.gz NAUSFCAYRIJELX-UHFFFAOYSA-N 0 0 204.269 3.287 10 0 BGAERN C=C(OCC)c1cc(Cl)nc(C2CC2)n1 ZINC000685965924 541498080 /nfs/dbraw/zinc/49/80/80/541498080.db2.gz YVGDRRZTWSHFCA-UHFFFAOYSA-N 0 0 224.691 3.015 10 0 BGAERN COc1cncc(CNc2cscc2C)c1 ZINC000700088608 711985548 /nfs/dbraw/zinc/98/55/48/711985548.db2.gz RAOXFOIYGCTVFG-UHFFFAOYSA-N 0 0 234.324 3.072 10 0 BGAERN Clc1sccc1[C@H]1NCCc2ccoc21 ZINC000701330395 582916373 /nfs/dbraw/zinc/91/63/73/582916373.db2.gz BHIDFKLTCHCXRL-SECBINFHSA-N 0 0 239.727 3.230 10 0 BGAERN Clc1sccc1[C@@H]1NCCc2ccoc21 ZINC000701330403 582916338 /nfs/dbraw/zinc/91/63/38/582916338.db2.gz BHIDFKLTCHCXRL-VIFPVBQESA-N 0 0 239.727 3.230 10 0 BGAERN CCc1nnc(CNc2cscc2C)s1 ZINC000702679336 712059091 /nfs/dbraw/zinc/05/90/91/712059091.db2.gz CAWSZJYLNDZRII-UHFFFAOYSA-N 0 0 239.369 3.083 10 0 BGAERN CC1(O)CCC(Nc2ccc(Cl)cc2)CC1 ZINC000705795959 712137152 /nfs/dbraw/zinc/13/71/52/712137152.db2.gz YARDDKAKIYETFJ-UHFFFAOYSA-N 0 0 239.746 3.446 10 0 BGAERN O=Cc1cccc(-c2ncccc2Cl)c1 ZINC000705949703 712138410 /nfs/dbraw/zinc/13/84/10/712138410.db2.gz COWHSMBASJTYMT-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN O=Cc1ccccc1-c1ncccc1Cl ZINC000705949792 712138345 /nfs/dbraw/zinc/13/83/45/712138345.db2.gz WUPAFLHNHUMNAK-UHFFFAOYSA-N 0 0 217.655 3.215 10 0 BGAERN Cc1ccc(N)cc1-c1ccccc1C=O ZINC000705958905 712138534 /nfs/dbraw/zinc/13/85/34/712138534.db2.gz WCUNFSQPUAGECG-UHFFFAOYSA-N 0 0 211.264 3.057 10 0 BGAERN CC(=O)c1ccc(-c2cn3c(n2)CCCC3)cc1 ZINC000706319203 712143404 /nfs/dbraw/zinc/14/34/04/712143404.db2.gz BZCVBIXGUVIVHR-UHFFFAOYSA-N 0 0 240.306 3.089 10 0 BGAERN CC(=O)c1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000706323129 712143692 /nfs/dbraw/zinc/14/36/92/712143692.db2.gz NZYKQCJRIZYYND-UHFFFAOYSA-N 0 0 240.306 3.089 10 0 BGAERN Cc1ccc(CN2C[C@@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736731 712153115 /nfs/dbraw/zinc/15/31/15/712153115.db2.gz GGOHXPDTKIWDNR-CMPLNLGQSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1ccc(CN2C[C@@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736732 712153479 /nfs/dbraw/zinc/15/34/79/712153479.db2.gz GGOHXPDTKIWDNR-JQWIXIFHSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1ccc(CN2C[C@H]3CCC[C@@H]32)c(Cl)n1 ZINC000706736733 712153052 /nfs/dbraw/zinc/15/30/52/712153052.db2.gz GGOHXPDTKIWDNR-PWSUYJOCSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1ccc(CN2C[C@H]3CCC[C@H]32)c(Cl)n1 ZINC000706736734 712153416 /nfs/dbraw/zinc/15/34/16/712153416.db2.gz GGOHXPDTKIWDNR-ZYHUDNBSSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1cc(CN2C[C@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737322 712153514 /nfs/dbraw/zinc/15/35/14/712153514.db2.gz HAVIPOCMZCMYPJ-NEPJUHHUSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1cc(CN2C[C@@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737323 712153368 /nfs/dbraw/zinc/15/33/68/712153368.db2.gz HAVIPOCMZCMYPJ-NWDGAFQWSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1cc(CN2C[C@@H]3CCC[C@@H]32)cc(Cl)n1 ZINC000706737324 712153085 /nfs/dbraw/zinc/15/30/85/712153085.db2.gz HAVIPOCMZCMYPJ-RYUDHWBXSA-N 0 0 236.746 3.028 10 0 BGAERN Cc1cc(CN2C[C@H]3CCC[C@H]32)cc(Cl)n1 ZINC000706737325 712153360 /nfs/dbraw/zinc/15/33/60/712153360.db2.gz HAVIPOCMZCMYPJ-VXGBXAGGSA-N 0 0 236.746 3.028 10 0 BGAERN Nc1ccc(-c2cnc(C3CC3)o2)c(Cl)c1 ZINC000707555004 712171811 /nfs/dbraw/zinc/17/18/11/712171811.db2.gz QNEMBNJREDUZQD-UHFFFAOYSA-N 0 0 234.686 3.455 10 0 BGAERN Nc1cccc(-c2cnc(C3CC3)o2)c1Cl ZINC000707573819 712175159 /nfs/dbraw/zinc/17/51/59/712175159.db2.gz AYYWEKHUBDSXIE-UHFFFAOYSA-N 0 0 234.686 3.455 10 0 BGAERN Cc1ccc(N)cc1-c1cnc(C2CC2)o1 ZINC000707613371 712176451 /nfs/dbraw/zinc/17/64/51/712176451.db2.gz WXUJHHRILAEWEC-UHFFFAOYSA-N 0 0 214.268 3.110 10 0 BGAERN Cc1ccc(N)c(-c2cnc(C3CC3)o2)c1 ZINC000707614284 712176088 /nfs/dbraw/zinc/17/60/88/712176088.db2.gz NQVGMQPQOBTYEK-UHFFFAOYSA-N 0 0 214.268 3.110 10 0 BGAERN C[C@@H](O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000707654920 712176140 /nfs/dbraw/zinc/17/61/40/712176140.db2.gz MDCIVIAPZDGKPS-SECBINFHSA-N 0 0 229.279 3.272 10 0 BGAERN C[C@H](O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000707654922 712176379 /nfs/dbraw/zinc/17/63/79/712176379.db2.gz MDCIVIAPZDGKPS-VIFPVBQESA-N 0 0 229.279 3.272 10 0 BGAERN COc1ccc(-c2cnc(C3CC3)o2)c(C=O)c1 ZINC000707681353 712176298 /nfs/dbraw/zinc/17/62/98/712176298.db2.gz IVKZROBCMSVZGL-UHFFFAOYSA-N 0 0 243.262 3.040 10 0 BGAERN COc1ccc(-c2cnc(C3CC3)o2)cc1C=O ZINC000707681999 712176008 /nfs/dbraw/zinc/17/60/08/712176008.db2.gz PHCAFALLNSVFCX-UHFFFAOYSA-N 0 0 243.262 3.040 10 0 BGAERN COc1ccc(C=O)c(-c2cnc(C3CC3)o2)c1 ZINC000707682022 712175899 /nfs/dbraw/zinc/17/58/99/712175899.db2.gz QEMMJKQTZJPILW-UHFFFAOYSA-N 0 0 243.262 3.040 10 0 BGAERN Cc1ccc(C=O)cc1-c1cnc(C2CC2)o1 ZINC000707689756 712175867 /nfs/dbraw/zinc/17/58/67/712175867.db2.gz AWGCCYSKVBYIRG-UHFFFAOYSA-N 0 0 227.263 3.340 10 0 BGAERN Cc1cc(C=O)ccc1-c1cnc(C2CC2)o1 ZINC000707690499 712176028 /nfs/dbraw/zinc/17/60/28/712176028.db2.gz RDZRDIDDVQNAHH-UHFFFAOYSA-N 0 0 227.263 3.340 10 0 BGAERN Cc1ccc(C=O)c(-c2cnc(C3CC3)o2)c1 ZINC000707690505 712176246 /nfs/dbraw/zinc/17/62/46/712176246.db2.gz RXVDNTDOMCQJKH-UHFFFAOYSA-N 0 0 227.263 3.340 10 0 BGAERN Cc1cc(-c2cnc(C3CC3)o2)ccc1C=O ZINC000707703632 712177124 /nfs/dbraw/zinc/17/71/24/712177124.db2.gz MMGKWPYXFAIQGI-UHFFFAOYSA-N 0 0 227.263 3.340 10 0 BGAERN Cc1cc(C)[nH+]c(NCCc2ccccc2)c1 ZINC000707927734 712173493 /nfs/dbraw/zinc/17/34/93/712173493.db2.gz PQSBYZHXURVWQU-UHFFFAOYSA-N 0 0 226.323 3.353 10 0 BGAERN CC1(C)COc2cc(-c3ccc(C=O)o3)ccc21 ZINC000707928681 712173107 /nfs/dbraw/zinc/17/31/07/712173107.db2.gz BHYKRCOMNTZCKN-UHFFFAOYSA-N 0 0 242.274 3.429 10 0 BGAERN Cc1conc1CN[C@H](C)c1cccc(C)c1 ZINC000708243828 712184526 /nfs/dbraw/zinc/18/45/26/712184526.db2.gz CGXDVQWABVAJMH-GFCCVEGCSA-N 0 0 230.311 3.142 10 0 BGAERN CSC1CC(Nc2nc(Cl)cs2)C1 ZINC000708258537 712184762 /nfs/dbraw/zinc/18/47/62/712184762.db2.gz RBSAUCAMUIUSQX-UHFFFAOYSA-N 0 0 234.777 3.102 10 0 BGAERN CCc1csc(NC2CC(SC)C2)n1 ZINC000708265368 712185125 /nfs/dbraw/zinc/18/51/25/712185125.db2.gz OBJZFYJYUJOEML-UHFFFAOYSA-N 0 0 228.386 3.011 10 0 BGAERN CSC1CC(Nc2ncc(Cl)cc2F)C1 ZINC000708299226 712185355 /nfs/dbraw/zinc/18/53/55/712185355.db2.gz BAMHBHGLVINUHU-UHFFFAOYSA-N 0 0 246.738 3.180 10 0 BGAERN Cc1conc1CN[C@H](C)c1ccc(C)cc1C ZINC000708314490 712186752 /nfs/dbraw/zinc/18/67/52/712186752.db2.gz FJBIKXFZCIXFGB-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1conc1CN[C@@H](C)c1ccc(C)cc1C ZINC000708314494 712186507 /nfs/dbraw/zinc/18/65/07/712186507.db2.gz FJBIKXFZCIXFGB-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1conc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000708315295 712186265 /nfs/dbraw/zinc/18/62/65/712186265.db2.gz NKJJIUCXHFAXIX-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1conc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000708315297 712186190 /nfs/dbraw/zinc/18/61/90/712186190.db2.gz NKJJIUCXHFAXIX-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN CSC1CC(Nc2nc3ccccc3o2)C1 ZINC000708319332 712186465 /nfs/dbraw/zinc/18/64/65/712186465.db2.gz VFZABXJSOHFWPO-UHFFFAOYSA-N 0 0 234.324 3.134 10 0 BGAERN CSC1CC(Nc2nccc3occc32)C1 ZINC000708319656 712186516 /nfs/dbraw/zinc/18/65/16/712186516.db2.gz XDZQAFCPDCPLSV-UHFFFAOYSA-N 0 0 234.324 3.134 10 0 BGAERN CC(C)OC(=O)N1CC[C@@H](C2CCCC2)C1 ZINC000708820064 712200043 /nfs/dbraw/zinc/20/00/43/712200043.db2.gz BCZHOOZWIPCDCD-GFCCVEGCSA-N 0 0 225.332 3.044 10 0 BGAERN CC(C)OC(=O)N1CC[C@H](C2CCCC2)C1 ZINC000708820065 712200333 /nfs/dbraw/zinc/20/03/33/712200333.db2.gz BCZHOOZWIPCDCD-LBPRGKRZSA-N 0 0 225.332 3.044 10 0 BGAERN Nc1cccc(-c2ccnc3c2CCCC3)c1 ZINC000709051929 712207208 /nfs/dbraw/zinc/20/72/08/712207208.db2.gz CDNAMPHGKDQQSO-UHFFFAOYSA-N 0 0 224.307 3.210 10 0 BGAERN Nc1ccc(-c2ccnc3c2CCCC3)cc1 ZINC000709054585 712206654 /nfs/dbraw/zinc/20/66/54/712206654.db2.gz UEBNCOKAOGMOBT-UHFFFAOYSA-N 0 0 224.307 3.210 10 0 BGAERN Nc1ccc(-c2ccnc3c2CCCC3)c(F)c1 ZINC000709058435 712206587 /nfs/dbraw/zinc/20/65/87/712206587.db2.gz ASCGAOLWBJDQEL-UHFFFAOYSA-N 0 0 242.297 3.349 10 0 BGAERN C[C@@H](Cn1cc(Cl)c(N)n1)CC(C)(C)C ZINC000709227874 582994908 /nfs/dbraw/zinc/99/49/08/582994908.db2.gz FAFXSCKYXZGJKC-MRVPVSSYSA-N 0 0 229.755 3.191 10 0 BGAERN C[C@H](Cn1cc(Cl)c(N)n1)CC(C)(C)C ZINC000709227877 582994382 /nfs/dbraw/zinc/99/43/82/582994382.db2.gz FAFXSCKYXZGJKC-QMMMGPOBSA-N 0 0 229.755 3.191 10 0 BGAERN O=Cc1ccc(-c2ccnc3c2CCCC3)o1 ZINC000709250457 712218581 /nfs/dbraw/zinc/21/85/81/712218581.db2.gz 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3.159 10 0 BGAERN O=Cc1cccc(-c2ccc3c(c2)CCOC3)c1 ZINC000711152357 712286384 /nfs/dbraw/zinc/28/63/84/712286384.db2.gz PFSGNCXJQFNPOB-UHFFFAOYSA-N 0 0 238.286 3.239 10 0 BGAERN Cc1cscc1NCc1nccn1C1CC1 ZINC000711788712 712331062 /nfs/dbraw/zinc/33/10/62/712331062.db2.gz RVJROTYZLOJDRA-UHFFFAOYSA-N 0 0 233.340 3.200 10 0 BGAERN C[C@H](NCc1nccn1C1CC1)c1cccs1 ZINC000711818315 712332407 /nfs/dbraw/zinc/33/24/07/712332407.db2.gz RVXCFSMAQBVXEL-JTQLQIEISA-N 0 0 247.367 3.130 10 0 BGAERN C[C@@H](NCc1nccn1C1CC1)c1cccs1 ZINC000711818316 712332448 /nfs/dbraw/zinc/33/24/48/712332448.db2.gz RVXCFSMAQBVXEL-SNVBAGLBSA-N 0 0 247.367 3.130 10 0 BGAERN CNc1cccc(-c2nc([C@H]3CC34CC4)no2)c1 ZINC000712005189 712340030 /nfs/dbraw/zinc/34/00/30/712340030.db2.gz QWWGXJOBYVKDDW-LLVKDONJSA-N 0 0 241.294 3.046 10 0 BGAERN CNc1cccc(-c2nc([C@@H]3CC34CC4)no2)c1 ZINC000712005191 712339812 /nfs/dbraw/zinc/33/98/12/712339812.db2.gz QWWGXJOBYVKDDW-NSHDSACASA-N 0 0 241.294 3.046 10 0 BGAERN CCCN1CCC(=O)C12CCC(C(C)C)CC2 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0 229.274 3.017 10 0 BGAERN CC(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2 ZINC000720942666 537892180 /nfs/dbraw/zinc/89/21/80/537892180.db2.gz XLJZWXWISNMUSM-VXNVDRBHSA-N 0 0 229.274 3.017 10 0 BGAERN CCO[C@@H]1CCC[C@@H](Nc2cnccc2C)C1 ZINC000721215870 712898993 /nfs/dbraw/zinc/89/89/93/712898993.db2.gz SZCQSUUEMDDYIR-CHWSQXEVSA-N 0 0 234.343 3.150 10 0 BGAERN CCO[C@H]1CCC[C@@H](Nc2cnccc2C)C1 ZINC000721215871 712899036 /nfs/dbraw/zinc/89/90/36/712899036.db2.gz SZCQSUUEMDDYIR-OLZOCXBDSA-N 0 0 234.343 3.150 10 0 BGAERN CCO[C@@H]1CCC[C@H](Nc2cnccc2C)C1 ZINC000721215872 712898904 /nfs/dbraw/zinc/89/89/04/712898904.db2.gz SZCQSUUEMDDYIR-QWHCGFSZSA-N 0 0 234.343 3.150 10 0 BGAERN CCO[C@H]1CCC[C@H](Nc2cnccc2C)C1 ZINC000721215873 712898930 /nfs/dbraw/zinc/89/89/30/712898930.db2.gz SZCQSUUEMDDYIR-STQMWFEESA-N 0 0 234.343 3.150 10 0 BGAERN Cc1ccncc1N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721574402 711650501 /nfs/dbraw/zinc/65/05/01/711650501.db2.gz ZBBGAIPUNJIHEV-GXTWGEPZSA-N 0 0 248.370 3.396 10 0 BGAERN Cc1ccncc1N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721574403 711650435 /nfs/dbraw/zinc/65/04/35/711650435.db2.gz ZBBGAIPUNJIHEV-JSGCOSHPSA-N 0 0 248.370 3.396 10 0 BGAERN Cc1ccncc1N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721574404 711650584 /nfs/dbraw/zinc/65/05/84/711650584.db2.gz ZBBGAIPUNJIHEV-OCCSQVGLSA-N 0 0 248.370 3.396 10 0 BGAERN Cc1ccncc1N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721574405 711650577 /nfs/dbraw/zinc/65/05/77/711650577.db2.gz ZBBGAIPUNJIHEV-TZMCWYRMSA-N 0 0 248.370 3.396 10 0 BGAERN C[C@H]1CC[C@@H](Oc2ccc(C=O)cc2F)C1 ZINC000721640242 711674636 /nfs/dbraw/zinc/67/46/36/711674636.db2.gz LOHCSDIWUORWDE-GXSJLCMTSA-N 0 0 222.259 3.206 10 0 BGAERN C[C@@H]1CC[C@H](Oc2ccc(C=O)cc2F)C1 ZINC000721640243 711674819 /nfs/dbraw/zinc/67/48/19/711674819.db2.gz LOHCSDIWUORWDE-KOLCDFICSA-N 0 0 222.259 3.206 10 0 BGAERN C[C@@H]1CC[C@@H](Oc2ccc(C=O)cc2F)C1 ZINC000721640244 711674742 /nfs/dbraw/zinc/67/47/42/711674742.db2.gz LOHCSDIWUORWDE-MWLCHTKSSA-N 0 0 222.259 3.206 10 0 BGAERN C[C@H]1CC[C@H](Oc2ccc(C=O)cc2F)C1 ZINC000721640245 711674703 /nfs/dbraw/zinc/67/47/03/711674703.db2.gz LOHCSDIWUORWDE-ONGXEEELSA-N 0 0 222.259 3.206 10 0 BGAERN C[C@H]1CC[C@H](Oc2cccc(C=O)c2)C1 ZINC000721642270 711690915 /nfs/dbraw/zinc/69/09/15/711690915.db2.gz QBNYPEQLBAGVCS-GWCFXTLKSA-N 0 0 204.269 3.067 10 0 BGAERN C[C@H]1CC[C@@H](Oc2cccc(C=O)c2)C1 ZINC000721642273 711691030 /nfs/dbraw/zinc/69/10/30/711691030.db2.gz QBNYPEQLBAGVCS-GXFFZTMASA-N 0 0 204.269 3.067 10 0 BGAERN C[C@@H]1CC[C@H](Oc2cccc(C=O)c2)C1 ZINC000721642275 711691007 /nfs/dbraw/zinc/69/10/07/711691007.db2.gz QBNYPEQLBAGVCS-MFKMUULPSA-N 0 0 204.269 3.067 10 0 BGAERN C[C@@H]1CC[C@@H](Oc2cccc(C=O)c2)C1 ZINC000721642278 711690967 /nfs/dbraw/zinc/69/09/67/711690967.db2.gz QBNYPEQLBAGVCS-ZWNOBZJWSA-N 0 0 204.269 3.067 10 0 BGAERN CCOc1ccc(-c2cncc(N)c2C)cc1 ZINC000722750256 537930185 /nfs/dbraw/zinc/93/01/85/537930185.db2.gz AKFXQLFPOLYPKP-UHFFFAOYSA-N 0 0 228.295 3.038 10 0 BGAERN Cc1c(N)cncc1-c1c(F)cccc1Cl ZINC000722752753 537929828 /nfs/dbraw/zinc/92/98/28/537929828.db2.gz SQWZUAYLNMKWLY-UHFFFAOYSA-N 0 0 236.677 3.432 10 0 BGAERN Cc1c(N)cncc1-c1ccc2c(c1)CCC2 ZINC000722752838 711469965 /nfs/dbraw/zinc/46/99/65/711469965.db2.gz UUCCPDYMXAPYBK-UHFFFAOYSA-N 0 0 224.307 3.128 10 0 BGAERN Cc1c(N)cncc1-c1ccc(F)c(F)c1F ZINC000722754222 537928878 /nfs/dbraw/zinc/92/88/78/537928878.db2.gz MAYFWWYAJURFGY-UHFFFAOYSA-N 0 0 238.212 3.057 10 0 BGAERN CC[C@@H]1C[C@H]1COc1cccc([C@H](C)O)c1 ZINC000723078497 710724570 /nfs/dbraw/zinc/72/45/70/710724570.db2.gz OWCBARGLUMAVEL-LOWVWBTDSA-N 0 0 220.312 3.165 10 0 BGAERN CC[C@@H]1C[C@H]1COc1cccc([C@@H](C)O)c1 ZINC000723078498 710725004 /nfs/dbraw/zinc/72/50/04/710725004.db2.gz OWCBARGLUMAVEL-WZRBSPASSA-N 0 0 220.312 3.165 10 0 BGAERN Cc1ccncc1N[C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723606861 710729368 /nfs/dbraw/zinc/72/93/68/710729368.db2.gz GQHWMROXBZQNIE-BFHYXJOUSA-N 0 0 246.354 3.007 10 0 BGAERN Cc1ccncc1N[C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723606865 710729188 /nfs/dbraw/zinc/72/91/88/710729188.db2.gz GQHWMROXBZQNIE-HZSPNIEDSA-N 0 0 246.354 3.007 10 0 BGAERN Cc1ccncc1N[C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723606868 710729277 /nfs/dbraw/zinc/72/92/77/710729277.db2.gz GQHWMROXBZQNIE-MELADBBJSA-N 0 0 246.354 3.007 10 0 BGAERN Cc1ccncc1N[C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723606872 710728671 /nfs/dbraw/zinc/72/86/71/710728671.db2.gz GQHWMROXBZQNIE-MGPQQGTHSA-N 0 0 246.354 3.007 10 0 BGAERN Cc1cnc(CN[C@H](C)c2cncs2)c(C)c1 ZINC000724041688 711557594 /nfs/dbraw/zinc/55/75/94/711557594.db2.gz HKCBTVAARVJVMW-LLVKDONJSA-N 0 0 247.367 3.006 10 0 BGAERN Cc1cnc(CN[C@@H](C)c2cncs2)c(C)c1 ZINC000724041689 711557346 /nfs/dbraw/zinc/55/73/46/711557346.db2.gz HKCBTVAARVJVMW-NSHDSACASA-N 0 0 247.367 3.006 10 0 BGAERN Cc1cnc(CNCc2ccccc2F)c(C)c1 ZINC000724059349 710736611 /nfs/dbraw/zinc/73/66/11/710736611.db2.gz XCAADDCBEPVJNR-UHFFFAOYSA-N 0 0 244.313 3.127 10 0 BGAERN Cc1ccc([C@@H](C)NCc2ncc(C)cc2C)o1 ZINC000724060208 711558504 /nfs/dbraw/zinc/55/85/04/711558504.db2.gz ZNCDXIPXDPOJBD-CYBMUJFWSA-N 0 0 244.338 3.451 10 0 BGAERN Cc1ccc([C@H](C)NCc2ncc(C)cc2C)o1 ZINC000724060209 711558316 /nfs/dbraw/zinc/55/83/16/711558316.db2.gz ZNCDXIPXDPOJBD-ZDUSSCGKSA-N 0 0 244.338 3.451 10 0 BGAERN CCC[C@@H]1C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724386817 710738991 /nfs/dbraw/zinc/73/89/91/710738991.db2.gz DIPXAXORAJGZFH-GHMZBOCLSA-N 0 0 236.359 3.250 10 0 BGAERN CCC[C@@H]1C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724386818 710739225 /nfs/dbraw/zinc/73/92/25/710739225.db2.gz DIPXAXORAJGZFH-MNOVXSKESA-N 0 0 236.359 3.250 10 0 BGAERN CCC[C@H]1C[C@@H]1NCc1nc(C(C)(C)C)co1 ZINC000724386820 710739461 /nfs/dbraw/zinc/73/94/61/710739461.db2.gz DIPXAXORAJGZFH-QWRGUYRKSA-N 0 0 236.359 3.250 10 0 BGAERN CCC[C@H]1C[C@H]1NCc1nc(C(C)(C)C)co1 ZINC000724386821 710740065 /nfs/dbraw/zinc/74/00/65/710740065.db2.gz DIPXAXORAJGZFH-WDEREUQCSA-N 0 0 236.359 3.250 10 0 BGAERN FC(F)c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)ncn1 ZINC000724638149 711602351 /nfs/dbraw/zinc/60/23/51/711602351.db2.gz JNKZDRLURLPKAQ-DJLDLDEBSA-N 0 0 239.269 3.015 10 0 BGAERN Nc1cccc(-c2cc(Cl)cnc2F)c1 ZINC000725241217 537977725 /nfs/dbraw/zinc/97/77/25/537977725.db2.gz CZAXNAZQNHWKHO-UHFFFAOYSA-N 0 0 222.650 3.123 10 0 BGAERN Cc1cc(-c2cc(Cl)cnc2F)sn1 ZINC000725241287 537978866 /nfs/dbraw/zinc/97/88/66/537978866.db2.gz JGWZMQBVUFXZJW-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN CCn1nc(C)cc1-c1cc(Cl)cnc1F ZINC000725241315 537979229 /nfs/dbraw/zinc/97/92/29/537979229.db2.gz JZABXCRZJMQADK-UHFFFAOYSA-N 0 0 239.681 3.066 10 0 BGAERN Cc1ncc(-c2cc(Cl)cnc2F)s1 ZINC000725241320 537979431 /nfs/dbraw/zinc/97/94/31/537979431.db2.gz KVOFCOXENYBBDX-UHFFFAOYSA-N 0 0 228.679 3.306 10 0 BGAERN Cc1cocc1-c1cc(Cl)cnc1F ZINC000725241350 537979736 /nfs/dbraw/zinc/97/97/36/537979736.db2.gz OAWURUYZGSKIOS-UHFFFAOYSA-N 0 0 211.623 3.443 10 0 BGAERN Cc1ccc(-c2cc(Cl)cnc2F)o1 ZINC000725241479 541330011 /nfs/dbraw/zinc/33/00/11/541330011.db2.gz SLQFFONSHSKIBU-UHFFFAOYSA-N 0 0 211.623 3.443 10 0 BGAERN Fc1ccc(-c2cc(Cl)cnc2F)cn1 ZINC000725241494 541329776 /nfs/dbraw/zinc/32/97/76/541329776.db2.gz UXZPOBAUOJJHKQ-UHFFFAOYSA-N 0 0 226.613 3.075 10 0 BGAERN Fc1ncccc1-c1cc(Cl)cnc1F ZINC000725241499 541329710 /nfs/dbraw/zinc/32/97/10/541329710.db2.gz VJVBLYDVPGPQAS-UHFFFAOYSA-N 0 0 226.613 3.075 10 0 BGAERN C=Cc1ccc(-c2cncc(N)c2C)cc1 ZINC000725241501 541329674 /nfs/dbraw/zinc/32/96/74/541329674.db2.gz VQOWVXOGTNORMM-UHFFFAOYSA-N 0 0 210.280 3.282 10 0 BGAERN Cc1noc(C)c1-c1cc(Cl)cnc1F ZINC000725241510 541329619 /nfs/dbraw/zinc/32/96/19/541329619.db2.gz VSBHIOAPDHWWSN-UHFFFAOYSA-N 0 0 226.638 3.146 10 0 BGAERN Nc1ccc(-c2cc(Cl)cnc2F)cc1 ZINC000725241547 541329895 /nfs/dbraw/zinc/32/98/95/541329895.db2.gz XADXTPKVIMCGLT-UHFFFAOYSA-N 0 0 222.650 3.123 10 0 BGAERN Nc1ccc(-c2cc(Cl)cnc2F)c(F)c1 ZINC000725241564 541329752 /nfs/dbraw/zinc/32/97/52/541329752.db2.gz YNGVSUMENAPSND-UHFFFAOYSA-N 0 0 240.640 3.262 10 0 BGAERN CCCc1cnc2c(Br)cccn12 ZINC000725241584 541329735 /nfs/dbraw/zinc/32/97/35/541329735.db2.gz IMJPDPDDORRXFA-UHFFFAOYSA-N 0 0 239.116 3.049 10 0 BGAERN CC[C@H](C)CNc1cn(C(C)C)nc1C ZINC000725242433 537984092 /nfs/dbraw/zinc/98/40/92/537984092.db2.gz DVRFIKQEKPEHTO-JTQLQIEISA-N 0 0 209.337 3.230 10 0 BGAERN CC[C@@H](C)CNc1cn(C(C)C)nc1C ZINC000725242434 537984302 /nfs/dbraw/zinc/98/43/02/537984302.db2.gz DVRFIKQEKPEHTO-SNVBAGLBSA-N 0 0 209.337 3.230 10 0 BGAERN Cc1nn(C(C)C)cc1NCc1ccc(O)cc1 ZINC000725242490 537986098 /nfs/dbraw/zinc/98/60/98/537986098.db2.gz KYPHVBQKXRTNGN-UHFFFAOYSA-N 0 0 245.326 3.090 10 0 BGAERN CCOc1cccc(Br)c1OCC ZINC000725242567 537986612 /nfs/dbraw/zinc/98/66/12/537986612.db2.gz IAQCHGYBUXQGNF-UHFFFAOYSA-N 0 0 245.116 3.247 10 0 BGAERN CC(C)Oc1ccnc2cc(F)c(F)cc21 ZINC000725242726 537985262 /nfs/dbraw/zinc/98/52/62/537985262.db2.gz XXHDGADDSGSVLS-UHFFFAOYSA-N 0 0 223.222 3.300 10 0 BGAERN CCCc1nc2cc(C)c(CC)c(Cl)n2n1 ZINC000725242918 537989240 /nfs/dbraw/zinc/98/92/40/537989240.db2.gz ACGVIQQXDACROS-UHFFFAOYSA-N 0 0 237.734 3.206 10 0 BGAERN Cc1cc2nc(CC(C)C)nn2c(O)c1C(C)C ZINC000725242922 537989621 /nfs/dbraw/zinc/98/96/21/537989621.db2.gz AGLKSHQSZFZHEJ-UHFFFAOYSA-N 0 0 247.342 3.065 10 0 BGAERN CC(C)c1cc2nc(CC(C)(C)C)nn2c(O)c1 ZINC000725242928 537988080 /nfs/dbraw/zinc/98/80/80/537988080.db2.gz APHCENXFXCSQOK-UHFFFAOYSA-N 0 0 247.342 3.147 10 0 BGAERN CC[C@@H](C)c1nc2cc(C)cc(Cl)n2n1 ZINC000725242932 537988186 /nfs/dbraw/zinc/98/81/86/537988186.db2.gz BBDJDGTUIRUISB-MRVPVSSYSA-N 0 0 223.707 3.205 10 0 BGAERN CC[C@H](C)c1nc2cc(C)cc(Cl)n2n1 ZINC000725242933 537989488 /nfs/dbraw/zinc/98/94/88/537989488.db2.gz BBDJDGTUIRUISB-QMMMGPOBSA-N 0 0 223.707 3.205 10 0 BGAERN CCc1c(C)cc2nc(C3CC3)nn2c1Cl ZINC000725242974 537988406 /nfs/dbraw/zinc/98/84/06/537988406.db2.gz CZIMOGWWYWRTIE-UHFFFAOYSA-N 0 0 235.718 3.131 10 0 BGAERN CC(C)c1cc2nc(C3CCCC3)nn2c(O)c1 ZINC000725242975 537989461 /nfs/dbraw/zinc/98/94/61/537989461.db2.gz CZTJHPINKAUGBT-UHFFFAOYSA-N 0 0 245.326 3.216 10 0 BGAERN Cc1cc2nc(C(C)(C)C)nn2c(O)c1C(C)C ZINC000725242985 537989914 /nfs/dbraw/zinc/98/99/14/537989914.db2.gz DNFMFOYSLZSSGZ-UHFFFAOYSA-N 0 0 247.342 3.164 10 0 BGAERN Cc1cc2nc(C3CCC3)nn2c(O)c1C(C)C ZINC000725242993 537988948 /nfs/dbraw/zinc/98/89/48/537988948.db2.gz FABZNKKJSZAHJT-UHFFFAOYSA-N 0 0 245.326 3.134 10 0 BGAERN CCc1c(O)n2nc(C(C)C)nc2cc1C(C)C ZINC000725242995 537989511 /nfs/dbraw/zinc/98/95/11/537989511.db2.gz FCGJNYZLPAMRJC-UHFFFAOYSA-N 0 0 247.342 3.244 10 0 BGAERN CC[C@H](C)Cc1nc2cc(C(C)C)cc(O)n2n1 ZINC000725243003 537988465 /nfs/dbraw/zinc/98/84/65/537988465.db2.gz FKZLKTOWORZDAR-JTQLQIEISA-N 0 0 247.342 3.147 10 0 BGAERN CC[C@@H](C)Cc1nc2cc(C(C)C)cc(O)n2n1 ZINC000725243004 537989200 /nfs/dbraw/zinc/98/92/00/537989200.db2.gz FKZLKTOWORZDAR-SNVBAGLBSA-N 0 0 247.342 3.147 10 0 BGAERN CC(C)(C)c1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243015 537989769 /nfs/dbraw/zinc/98/97/69/537989769.db2.gz FSGYDPWOQXLUPS-UHFFFAOYSA-N 0 0 247.342 3.030 10 0 BGAERN CCC(CC)c1nc2cc(C3CC3)cc(O)n2n1 ZINC000725243035 537989830 /nfs/dbraw/zinc/98/98/30/537989830.db2.gz GRAMSGOBBDTIOU-UHFFFAOYSA-N 0 0 245.326 3.216 10 0 BGAERN CCCc1nc2cc(C(C)C)c(CC)c(O)n2n1 ZINC000725243060 537989881 /nfs/dbraw/zinc/98/98/81/537989881.db2.gz HYYQXCUPLGRZQX-UHFFFAOYSA-N 0 0 247.342 3.073 10 0 BGAERN CCc1c(C)cc2nc(C(CC)CC)nn2c1O ZINC000725243070 537987679 /nfs/dbraw/zinc/98/76/79/537987679.db2.gz IPCJHHBMCMEISH-UHFFFAOYSA-N 0 0 247.342 3.209 10 0 BGAERN CC[C@@H](C)Cc1nc2cc(C)cc(Cl)n2n1 ZINC000725243078 537991922 /nfs/dbraw/zinc/99/19/22/537991922.db2.gz JGACRYFTKBEGCW-MRVPVSSYSA-N 0 0 237.734 3.280 10 0 BGAERN CC[C@H](C)Cc1nc2cc(C)cc(Cl)n2n1 ZINC000725243079 537991997 /nfs/dbraw/zinc/99/19/97/537991997.db2.gz JGACRYFTKBEGCW-QMMMGPOBSA-N 0 0 237.734 3.280 10 0 BGAERN CCCc1cc2nc(C3CCCC3)nn2c(O)c1 ZINC000725243118 537991365 /nfs/dbraw/zinc/99/13/65/537991365.db2.gz LLPDQHOFFHOSHN-UHFFFAOYSA-N 0 0 245.326 3.045 10 0 BGAERN Cc1cc2nc(C3CCCCC3)nn2c(O)c1C ZINC000725243127 537992702 /nfs/dbraw/zinc/99/27/02/537992702.db2.gz LTCGJZKKZAMGGS-UHFFFAOYSA-N 0 0 245.326 3.099 10 0 BGAERN Cc1cc2nc(C3CCCC3)nn2c(Cl)c1 ZINC000725243132 537992445 /nfs/dbraw/zinc/99/24/45/537992445.db2.gz LVAGMZPXFHUUTR-UHFFFAOYSA-N 0 0 235.718 3.349 10 0 BGAERN CCC(CC)c1nc2cc(C(C)C)cc(O)n2n1 ZINC000725243166 537991197 /nfs/dbraw/zinc/99/11/97/537991197.db2.gz NKHCKTJDATWBJA-UHFFFAOYSA-N 0 0 247.342 3.462 10 0 BGAERN CCC(C)(C)c1nc2cc(C)cc(Cl)n2n1 ZINC000725243169 537991376 /nfs/dbraw/zinc/99/13/76/537991376.db2.gz NNDLIHACBHOHOQ-UHFFFAOYSA-N 0 0 237.734 3.379 10 0 BGAERN CCC[C@@H](C)c1nc2cc(C)c(CC)c(O)n2n1 ZINC000725243172 537991466 /nfs/dbraw/zinc/99/14/66/537991466.db2.gz NPLVMOMZFPZPRZ-SECBINFHSA-N 0 0 247.342 3.209 10 0 BGAERN CCC[C@H](C)c1nc2cc(C)c(CC)c(O)n2n1 ZINC000725243173 537992740 /nfs/dbraw/zinc/99/27/40/537992740.db2.gz NPLVMOMZFPZPRZ-VIFPVBQESA-N 0 0 247.342 3.209 10 0 BGAERN CCC(C)(C)c1nc2cc(C(C)C)cc(O)n2n1 ZINC000725243177 537990777 /nfs/dbraw/zinc/99/07/77/537990777.db2.gz NUBJJORIKXYFCB-UHFFFAOYSA-N 0 0 247.342 3.246 10 0 BGAERN CC[C@@H](C)c1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243190 537990921 /nfs/dbraw/zinc/99/09/21/537990921.db2.gz OQFBMSZJXBKYJO-SECBINFHSA-N 0 0 245.326 3.216 10 0 BGAERN CC[C@H](C)c1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243191 537991553 /nfs/dbraw/zinc/99/15/53/537991553.db2.gz OQFBMSZJXBKYJO-VIFPVBQESA-N 0 0 245.326 3.216 10 0 BGAERN CC[C@@H](C)c1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243209 537992639 /nfs/dbraw/zinc/99/26/39/537992639.db2.gz QCDDDRFNUKDIDI-SECBINFHSA-N 0 0 247.342 3.246 10 0 BGAERN CC[C@H](C)c1nc2cc(C(C)(C)C)cc(O)n2n1 ZINC000725243210 537991144 /nfs/dbraw/zinc/99/11/44/537991144.db2.gz QCDDDRFNUKDIDI-VIFPVBQESA-N 0 0 247.342 3.246 10 0 BGAERN CC[C@H](C)c1nc2cc(CC(C)C)cc(O)n2n1 ZINC000725243221 537992534 /nfs/dbraw/zinc/99/25/34/537992534.db2.gz QJTDVMQORJSTAQ-JTQLQIEISA-N 0 0 247.342 3.147 10 0 BGAERN CC[C@@H](C)c1nc2cc(CC(C)C)cc(O)n2n1 ZINC000725243222 537991475 /nfs/dbraw/zinc/99/14/75/537991475.db2.gz QJTDVMQORJSTAQ-SNVBAGLBSA-N 0 0 247.342 3.147 10 0 BGAERN CCc1nc2cc(C(C)(C)C)cc(Cl)n2n1 ZINC000725243225 537990978 /nfs/dbraw/zinc/99/09/78/537990978.db2.gz QMXCGBPDMWFCGU-UHFFFAOYSA-N 0 0 237.734 3.243 10 0 BGAERN CCCc1cc2nc(C(CC)CC)nn2c(O)c1 ZINC000725243241 537991821 /nfs/dbraw/zinc/99/18/21/537991821.db2.gz RKCYKJJQRMPKTF-UHFFFAOYSA-N 0 0 247.342 3.291 10 0 BGAERN CCCc1cc2nc([C@@H](C)CCC)nn2c(O)c1 ZINC000725243243 537990937 /nfs/dbraw/zinc/99/09/37/537990937.db2.gz RQUXSXWYYHUWJX-JTQLQIEISA-N 0 0 247.342 3.291 10 0 BGAERN CCCc1cc2nc([C@H](C)CCC)nn2c(O)c1 ZINC000725243244 537992007 /nfs/dbraw/zinc/99/20/07/537992007.db2.gz RQUXSXWYYHUWJX-SNVBAGLBSA-N 0 0 247.342 3.291 10 0 BGAERN CC[C@@H](C)c1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725243249 537992151 /nfs/dbraw/zinc/99/21/51/537992151.db2.gz SJHFDFVHDBZEQL-SECBINFHSA-N 0 0 247.342 3.380 10 0 BGAERN CC[C@H](C)c1nc2cc(C)c(C(C)C)c(O)n2n1 ZINC000725243250 537992077 /nfs/dbraw/zinc/99/20/77/537992077.db2.gz SJHFDFVHDBZEQL-VIFPVBQESA-N 0 0 247.342 3.380 10 0 BGAERN CCc1c(C)cc2nc(C(F)F)nn2c1Cl ZINC000725243259 537992577 /nfs/dbraw/zinc/99/25/77/537992577.db2.gz STTPNHYOXMGLDF-UHFFFAOYSA-N 0 0 245.660 3.191 10 0 BGAERN CCCc1cc2nc(C(C)(C)CC)nn2c(O)c1 ZINC000725243274 537991650 /nfs/dbraw/zinc/99/16/50/537991650.db2.gz UJUOLMMDTCMHPU-UHFFFAOYSA-N 0 0 247.342 3.075 10 0 BGAERN Cc1cc2nc(CC(C)(C)C)nn2c(Cl)c1 ZINC000725243291 537992227 /nfs/dbraw/zinc/99/22/27/537992227.db2.gz VJSOCHGDSUNVQQ-UHFFFAOYSA-N 0 0 237.734 3.280 10 0 BGAERN CCc1c(C)cc2nc(C(C)C)nn2c1Cl ZINC000725243308 537990964 /nfs/dbraw/zinc/99/09/64/537990964.db2.gz WCZDHDZCOOMZTM-UHFFFAOYSA-N 0 0 237.734 3.377 10 0 BGAERN CC(C)c1nc2cc(C3CCCC3)cc(O)n2n1 ZINC000725243312 537992655 /nfs/dbraw/zinc/99/26/55/537992655.db2.gz WKHXPJLAUSNPQR-UHFFFAOYSA-N 0 0 245.326 3.216 10 0 BGAERN CCCCc1nc2cc(C)cc(Cl)n2n1 ZINC000725243334 537991525 /nfs/dbraw/zinc/99/15/25/537991525.db2.gz XTXBLNONMGUAMU-UHFFFAOYSA-N 0 0 223.707 3.034 10 0 BGAERN CCCCc1nc2cc(C3CCC3)cc(O)n2n1 ZINC000725243361 537991672 /nfs/dbraw/zinc/99/16/72/537991672.db2.gz ZDYHMRNDIRBYMY-UHFFFAOYSA-N 0 0 245.326 3.045 10 0 BGAERN CCc1nnc(CSCC[Si](C)(C)C)o1 ZINC000725244714 537998791 /nfs/dbraw/zinc/99/87/91/537998791.db2.gz AGODGDRTXOKMTA-UHFFFAOYSA-N 0 0 244.436 3.203 10 0 BGAERN Cc1cc(CSCC[Si](C)(C)C)nn1C ZINC000725244785 537998028 /nfs/dbraw/zinc/99/80/28/537998028.db2.gz BFNQRNWMMWRXDX-UHFFFAOYSA-N 0 0 242.464 3.300 10 0 BGAERN CCc1nc2cc(CC(C)C)cc(Cl)n2n1 ZINC000725244847 537998037 /nfs/dbraw/zinc/99/80/37/537998037.db2.gz AJOMXACNZADYQP-UHFFFAOYSA-N 0 0 237.734 3.144 10 0 BGAERN CCc1noc(CSCC[Si](C)(C)C)n1 ZINC000725245039 537999816 /nfs/dbraw/zinc/99/98/16/537999816.db2.gz DKIRINMHRPKFFW-UHFFFAOYSA-N 0 0 244.436 3.203 10 0 BGAERN CCCc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725245040 538000037 /nfs/dbraw/zinc/00/00/37/538000037.db2.gz DUQXOUVTZSBMIB-UHFFFAOYSA-N 0 0 235.718 3.213 10 0 BGAERN CCc1nc2cc(C3CCC3)cc(Cl)n2n1 ZINC000725245065 538000860 /nfs/dbraw/zinc/00/08/60/538000860.db2.gz FFMQKPPEVGYCEA-UHFFFAOYSA-N 0 0 235.718 3.213 10 0 BGAERN CCc1nc2cc(C)c(C(C)C)c(Cl)n2n1 ZINC000725245129 538000005 /nfs/dbraw/zinc/00/00/05/538000005.db2.gz ALBBUYSVNWGNEA-UHFFFAOYSA-N 0 0 237.734 3.377 10 0 BGAERN Cc1cc2nc(C(C)(C)C)nn2c(Cl)c1C ZINC000725245131 538000337 /nfs/dbraw/zinc/00/03/37/538000337.db2.gz ANZTXBRTBRVFCI-UHFFFAOYSA-N 0 0 237.734 3.297 10 0 BGAERN CCCc1cc2nc(C(F)F)nn2c(Cl)c1 ZINC000725245191 538001265 /nfs/dbraw/zinc/00/12/65/538001265.db2.gz BEFNJWQHVBRXNP-UHFFFAOYSA-N 0 0 245.660 3.273 10 0 BGAERN Clc1cc(C2CCCC2)cc2ncnn21 ZINC000725245387 538000641 /nfs/dbraw/zinc/00/06/41/538000641.db2.gz GCOQCIZZXKQXPD-UHFFFAOYSA-N 0 0 221.691 3.040 10 0 BGAERN Cc1nn(C)cc1CSCC[Si](C)(C)C ZINC000725245438 538000795 /nfs/dbraw/zinc/00/07/95/538000795.db2.gz IFOBIKGGTSQZTF-UHFFFAOYSA-N 0 0 242.464 3.300 10 0 BGAERN Cc1ccc(-c2ccsc2C=O)cc1N ZINC000725245461 537999842 /nfs/dbraw/zinc/99/98/42/537999842.db2.gz IOTWQOLMAXCCHV-UHFFFAOYSA-N 0 0 217.293 3.118 10 0 BGAERN CC(C)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725245463 538001409 /nfs/dbraw/zinc/00/14/09/538001409.db2.gz ITVHRUZHVWNPQK-UHFFFAOYSA-N 0 0 235.718 3.384 10 0 BGAERN CC(C)c1nc2cc(CC3CC3)cc(Cl)n2n1 ZINC000725245466 538001173 /nfs/dbraw/zinc/00/11/73/538001173.db2.gz IVGFASHEKDOERV-UHFFFAOYSA-N 0 0 249.745 3.459 10 0 BGAERN FC(F)c1cc2nc(C3CC3)nn2c(Cl)c1 ZINC000725245485 538001036 /nfs/dbraw/zinc/00/10/36/538001036.db2.gz JSANUNYDDFHMGT-UHFFFAOYSA-N 0 0 243.644 3.198 10 0 BGAERN CNc1cccc(-c2cncn2C(C)C)c1 ZINC000725245516 538000576 /nfs/dbraw/zinc/00/05/76/538000576.db2.gz JUYHYCWNYDQEGX-UHFFFAOYSA-N 0 0 215.300 3.173 10 0 BGAERN Cc1cn(C)nc1CSCC[Si](C)(C)C ZINC000725245596 538003583 /nfs/dbraw/zinc/00/35/83/538003583.db2.gz KMGPYSNRCOMITF-UHFFFAOYSA-N 0 0 242.464 3.300 10 0 BGAERN Cc1cc2nc(C(F)(F)F)nn2c(Cl)c1C ZINC000725245746 538001743 /nfs/dbraw/zinc/00/17/43/538001743.db2.gz FNIGZWAPAYASCR-UHFFFAOYSA-N 0 0 249.623 3.018 10 0 BGAERN Cc1nnc(CSCC[Si](C)(C)C)s1 ZINC000725245987 538004329 /nfs/dbraw/zinc/00/43/29/538004329.db2.gz PDYKOMMKDSLQOP-UHFFFAOYSA-N 0 0 246.477 3.418 10 0 BGAERN COc1ccc(-c2cncn2C(C)C)c(OC)c1 ZINC000725246012 538005018 /nfs/dbraw/zinc/00/50/18/538005018.db2.gz OQKSDHVXYBUZAX-UHFFFAOYSA-N 0 0 246.310 3.148 10 0 BGAERN CCc1cc2nc(CC(C)C)nn2c(Cl)c1 ZINC000725246098 538004540 /nfs/dbraw/zinc/00/45/40/538004540.db2.gz JGMUVLXTNDJEMP-UHFFFAOYSA-N 0 0 237.734 3.144 10 0 BGAERN Clc1cc(C2CC2)cc2nc(C3CC3)nn21 ZINC000725246100 538005642 /nfs/dbraw/zinc/00/56/42/538005642.db2.gz RMMJXCOEBJOSJE-UHFFFAOYSA-N 0 0 233.702 3.138 10 0 BGAERN CCc1cc2nc(C(C)C)nn2c(Cl)c1 ZINC000725246102 538005426 /nfs/dbraw/zinc/00/54/26/538005426.db2.gz JHHRZMMOLPCEPO-UHFFFAOYSA-N 0 0 223.707 3.069 10 0 BGAERN CCCc1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246131 538005536 /nfs/dbraw/zinc/00/55/36/538005536.db2.gz KLVGMEJHDQXNRY-UHFFFAOYSA-N 0 0 237.734 3.459 10 0 BGAERN CCCc1cc2nc(C3CC3)nn2c(Cl)c1 ZINC000725246164 538005153 /nfs/dbraw/zinc/00/51/53/538005153.db2.gz LNZALMLHEWPSSW-UHFFFAOYSA-N 0 0 235.718 3.213 10 0 BGAERN CC1(C)OC[C@@H](CSCC[Si](C)(C)C)O1 ZINC000725246203 538004497 /nfs/dbraw/zinc/00/44/97/538004497.db2.gz RHZIDBVFVGTARI-JTQLQIEISA-N 0 0 248.464 3.209 10 0 BGAERN CC1(C)OC[C@H](CSCC[Si](C)(C)C)O1 ZINC000725246209 538004393 /nfs/dbraw/zinc/00/43/93/538004393.db2.gz RHZIDBVFVGTARI-SNVBAGLBSA-N 0 0 248.464 3.209 10 0 BGAERN CCCc1nc2cc(CC3CC3)cc(Cl)n2n1 ZINC000725246219 538006545 /nfs/dbraw/zinc/00/65/45/538006545.db2.gz RYSWSCGDNMAFJR-UHFFFAOYSA-N 0 0 249.745 3.288 10 0 BGAERN Cc1nc[nH]c1CSCC[Si](C)(C)C ZINC000725246267 538007382 /nfs/dbraw/zinc/00/73/82/538007382.db2.gz SCYUJJZZSBMSTE-UHFFFAOYSA-N 0 0 228.437 3.290 10 0 BGAERN C[Si](C)(C)CCSCc1csc(N)n1 ZINC000725246276 538007170 /nfs/dbraw/zinc/00/71/70/538007170.db2.gz SMRIGPDTVSYHLO-UHFFFAOYSA-N 0 0 246.477 3.297 10 0 BGAERN Clc1cc(CC2CC2)cc2nc(C3CC3)nn21 ZINC000725246295 538007506 /nfs/dbraw/zinc/00/75/06/538007506.db2.gz UDAZSWWNLPTBMG-UHFFFAOYSA-N 0 0 247.729 3.213 10 0 BGAERN Cc1nc2cc(C3CCCC3)cc(Cl)n2n1 ZINC000725246327 538006258 /nfs/dbraw/zinc/00/62/58/538006258.db2.gz VCWYCKNKAMPAOJ-UHFFFAOYSA-N 0 0 235.718 3.349 10 0 BGAERN CC(C)Cc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725246350 538007068 /nfs/dbraw/zinc/00/70/68/538007068.db2.gz VWHRGTSVWICYLI-UHFFFAOYSA-N 0 0 249.745 3.459 10 0 BGAERN Cc1oc(=O)oc1CSCC[Si](C)(C)C ZINC000725246372 538007084 /nfs/dbraw/zinc/00/70/84/538007084.db2.gz VEUAROCJTKUTJW-UHFFFAOYSA-N 0 0 246.404 3.113 10 0 BGAERN CC(C)n1cncc1-c1ccc2c(c1)CCC2=O ZINC000725246381 538006108 /nfs/dbraw/zinc/00/61/08/538006108.db2.gz XKZZBZQUKWDTHO-UHFFFAOYSA-N 0 0 240.306 3.260 10 0 BGAERN Cc1cc(-c2cncn2C(C)C)cnc1Cl ZINC000725246383 538007267 /nfs/dbraw/zinc/00/72/67/538007267.db2.gz XMIQTPMUSKLEQF-UHFFFAOYSA-N 0 0 235.718 3.488 10 0 BGAERN CCCc1nc2cc(C(F)F)cc(Cl)n2n1 ZINC000725246385 538006886 /nfs/dbraw/zinc/00/68/86/538006886.db2.gz XPVKDZOWLWPNGC-UHFFFAOYSA-N 0 0 245.660 3.273 10 0 BGAERN CC(C)n1cncc1-c1ccc(Cl)nc1 ZINC000725246398 538007036 /nfs/dbraw/zinc/00/70/36/538007036.db2.gz YTWXUPDCQYJDSW-UHFFFAOYSA-N 0 0 221.691 3.179 10 0 BGAERN FC(F)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725246410 538007457 /nfs/dbraw/zinc/00/74/57/538007457.db2.gz ZPCDKFYIUCPMKG-UHFFFAOYSA-N 0 0 243.644 3.198 10 0 BGAERN CC(C)c1cc2nc(C3CC3)nn2c(Cl)c1 ZINC000725246514 538007450 /nfs/dbraw/zinc/00/74/50/538007450.db2.gz OMKXVSSSJUAYRZ-UHFFFAOYSA-N 0 0 235.718 3.384 10 0 BGAERN Cc1cc2nc(C3CCC3)nn2c(Cl)c1C ZINC000725246545 538007141 /nfs/dbraw/zinc/00/71/41/538007141.db2.gz OZONTDFVHWGXSD-UHFFFAOYSA-N 0 0 235.718 3.267 10 0 BGAERN CCc1cc2nc([C@H](C)CC)nn2c(Cl)c1 ZINC000725246646 538006796 /nfs/dbraw/zinc/00/67/96/538006796.db2.gz RPSMCDLSUXXOBD-MRVPVSSYSA-N 0 0 237.734 3.459 10 0 BGAERN CCc1cc2nc([C@@H](C)CC)nn2c(Cl)c1 ZINC000725246647 538006992 /nfs/dbraw/zinc/00/69/92/538006992.db2.gz RPSMCDLSUXXOBD-QMMMGPOBSA-N 0 0 237.734 3.459 10 0 BGAERN Cc1cc2nc(C(C)C)nn2c(Cl)c1C ZINC000725246654 538007182 /nfs/dbraw/zinc/00/71/82/538007182.db2.gz 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/nfs/dbraw/zinc/09/95/65/538099565.db2.gz BRZBSPHGBXJFSQ-UHFFFAOYSA-N 0 0 247.317 3.347 10 0 BGAERN NNc1cc2cccc(Cl)c2nc1C1CCC1 ZINC000725267940 538099721 /nfs/dbraw/zinc/09/97/21/538099721.db2.gz CPNZLUCOOVANOS-UHFFFAOYSA-N 0 0 247.729 3.441 10 0 BGAERN NNc1cc2ccc(Cl)cc2nc1CC1CC1 ZINC000725267941 538099502 /nfs/dbraw/zinc/09/95/02/538099502.db2.gz CQSPUOZDNPFMOU-UHFFFAOYSA-N 0 0 247.729 3.126 10 0 BGAERN CCc1cccc2c1N[C@@H](C(C)(C)CC)[C@@H](O)C2 ZINC000725267948 538099552 /nfs/dbraw/zinc/09/95/52/538099552.db2.gz CXMQPPWVTXJMFH-DZGCQCFKSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@H](C(C)(C)CC)[C@H](O)C2 ZINC000725267949 538099717 /nfs/dbraw/zinc/09/97/17/538099717.db2.gz CXMQPPWVTXJMFH-HIFRSBDPSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@@H](C(C)(C)CC)[C@H](O)C2 ZINC000725267950 538099497 /nfs/dbraw/zinc/09/94/97/538099497.db2.gz CXMQPPWVTXJMFH-UKRRQHHQSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@H](C(C)(C)CC)[C@@H](O)C2 ZINC000725267951 538099781 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CCC(C)(C)[C@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000725268266 538099510 /nfs/dbraw/zinc/09/95/10/538099510.db2.gz KPXFUGZJMXQQFS-KBPBESRZSA-N 0 0 233.355 3.129 10 0 BGAERN CCC(C)(C)[C@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000725268267 538099804 /nfs/dbraw/zinc/09/98/04/538099804.db2.gz KPXFUGZJMXQQFS-KGLIPLIRSA-N 0 0 233.355 3.129 10 0 BGAERN CCC(C)(C)[C@@H]1Nc2ccc(C)cc2C[C@@H]1O ZINC000725268268 538099426 /nfs/dbraw/zinc/09/94/26/538099426.db2.gz KPXFUGZJMXQQFS-UONOGXRCSA-N 0 0 233.355 3.129 10 0 BGAERN CCC(C)(C)[C@@H]1Nc2ccc(C)cc2C[C@H]1O ZINC000725268269 538099764 /nfs/dbraw/zinc/09/97/64/538099764.db2.gz KPXFUGZJMXQQFS-ZIAGYGMSSA-N 0 0 233.355 3.129 10 0 BGAERN CCc1cccc2c1N[C@@H](CC(C)(C)C)[C@@H](O)C2 ZINC000725268271 538099696 /nfs/dbraw/zinc/09/96/96/538099696.db2.gz KRKJRFYERCNEJU-KBPBESRZSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@H](CC(C)(C)C)[C@@H](O)C2 ZINC000725268272 538100385 /nfs/dbraw/zinc/10/03/85/538100385.db2.gz KRKJRFYERCNEJU-KGLIPLIRSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@@H](CC(C)(C)C)[C@H](O)C2 ZINC000725268273 538100081 /nfs/dbraw/zinc/10/00/81/538100081.db2.gz KRKJRFYERCNEJU-UONOGXRCSA-N 0 0 247.382 3.383 10 0 BGAERN CCc1cccc2c1N[C@H](CC(C)(C)C)[C@H](O)C2 ZINC000725268274 538100175 /nfs/dbraw/zinc/10/01/75/538100175.db2.gz KRKJRFYERCNEJU-ZIAGYGMSSA-N 0 0 247.382 3.383 10 0 BGAERN CC(C)(C)c1nc2cccc(Cl)c2cc1NN ZINC000725268279 538100404 /nfs/dbraw/zinc/10/04/04/538100404.db2.gz KTODIPFHLBXJRS-UHFFFAOYSA-N 0 0 249.745 3.471 10 0 BGAERN CC(C)[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@H]1O ZINC000725268286 538100412 /nfs/dbraw/zinc/10/04/12/538100412.db2.gz LHZQSLORCDPVHP-CABCVRRESA-N 0 0 247.382 3.338 10 0 BGAERN CC(C)[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@@H]1O ZINC000725268287 538099993 /nfs/dbraw/zinc/09/99/93/538099993.db2.gz LHZQSLORCDPVHP-GJZGRUSLSA-N 0 0 247.382 3.338 10 0 BGAERN CC(C)[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@H]1O ZINC000725268288 538100304 /nfs/dbraw/zinc/10/03/04/538100304.db2.gz LHZQSLORCDPVHP-HUUCEWRRSA-N 0 0 247.382 3.338 10 0 BGAERN CC(C)[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@@H]1O ZINC000725268289 538100088 /nfs/dbraw/zinc/10/00/88/538100088.db2.gz LHZQSLORCDPVHP-LSDHHAIUSA-N 0 0 247.382 3.338 10 0 BGAERN CC(C)(C)c1ccc2c(c1)C[C@@H](O)[C@H](C1CC1)N2 ZINC000725268293 538100322 /nfs/dbraw/zinc/10/03/22/538100322.db2.gz LNXLZWMFTMOSMP-CABCVRRESA-N 0 0 245.366 3.092 10 0 BGAERN CC(C)(C)c1ccc2c(c1)C[C@H](O)[C@H](C1CC1)N2 ZINC000725268294 538100047 /nfs/dbraw/zinc/10/00/47/538100047.db2.gz LNXLZWMFTMOSMP-GJZGRUSLSA-N 0 0 245.366 3.092 10 0 BGAERN CC(C)(C)c1ccc2c(c1)C[C@@H](O)[C@@H](C1CC1)N2 ZINC000725268295 538100040 /nfs/dbraw/zinc/10/00/40/538100040.db2.gz LNXLZWMFTMOSMP-HUUCEWRRSA-N 0 0 245.366 3.092 10 0 BGAERN CC(C)(C)c1ccc2c(c1)C[C@H](O)[C@@H](C1CC1)N2 ZINC000725268296 538100060 /nfs/dbraw/zinc/10/00/60/538100060.db2.gz LNXLZWMFTMOSMP-LSDHHAIUSA-N 0 0 245.366 3.092 10 0 BGAERN CCc1cccc2c1N[C@H](C1CCCC1)[C@H](O)C2 ZINC000725268308 538100043 /nfs/dbraw/zinc/10/00/43/538100043.db2.gz MAMBISVXRAOKAD-GDBMZVCRSA-N 0 0 245.366 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Cc1cccc2cc(NN)c(CC(C)(C)C)nc12 ZINC000725268330 538100253 /nfs/dbraw/zinc/10/02/53/538100253.db2.gz MMKANFUSGCUUQC-UHFFFAOYSA-N 0 0 243.354 3.417 10 0 BGAERN CC[C@@H](C)c1nc2c(C)cccc2cc1NN ZINC000725268331 538100415 /nfs/dbraw/zinc/10/04/15/538100415.db2.gz MNMQSZHSAAOIOL-SECBINFHSA-N 0 0 229.327 3.342 10 0 BGAERN CC[C@H](C)c1nc2c(C)cccc2cc1NN ZINC000725268332 538100353 /nfs/dbraw/zinc/10/03/53/538100353.db2.gz MNMQSZHSAAOIOL-VIFPVBQESA-N 0 0 229.327 3.342 10 0 BGAERN CC[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@@]1(C)O ZINC000725268343 538100151 /nfs/dbraw/zinc/10/01/51/538100151.db2.gz NCPAIRRIWAMMGI-GDBMZVCRSA-N 0 0 247.382 3.482 10 0 BGAERN CC[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@@]1(C)O ZINC000725268344 538100076 /nfs/dbraw/zinc/10/00/76/538100076.db2.gz NCPAIRRIWAMMGI-GOEBONIOSA-N 0 0 247.382 3.482 10 0 BGAERN CC[C@@H]1Nc2ccc(C(C)(C)C)cc2C[C@]1(C)O ZINC000725268345 538100071 /nfs/dbraw/zinc/10/00/71/538100071.db2.gz NCPAIRRIWAMMGI-HOCLYGCPSA-N 0 0 247.382 3.482 10 0 BGAERN CC[C@H]1Nc2ccc(C(C)(C)C)cc2C[C@]1(C)O ZINC000725268346 538100201 /nfs/dbraw/zinc/10/02/01/538100201.db2.gz NCPAIRRIWAMMGI-ZBFHGGJFSA-N 0 0 247.382 3.482 10 0 BGAERN CCOc1ccc2nc(C(C)C)c(NN)cc2c1 ZINC000725268347 538100208 /nfs/dbraw/zinc/10/02/08/538100208.db2.gz NCXLYJMLIZLQBR-UHFFFAOYSA-N 0 0 245.326 3.043 10 0 BGAERN CCc1cccc2cc(NN)c(C(C)C)nc21 ZINC000725268348 538099999 /nfs/dbraw/zinc/09/99/99/538099999.db2.gz NDUYDPJRIMQCNO-UHFFFAOYSA-N 0 0 229.327 3.206 10 0 BGAERN CC(C)(C)Cc1nc2cc(F)ccc2cc1NN ZINC000725268352 538100356 /nfs/dbraw/zinc/10/03/56/538100356.db2.gz NGARVCUQHXHYOB-UHFFFAOYSA-N 0 0 247.317 3.248 10 0 BGAERN NNc1cc2cc(Cl)ccc2nc1C1CCC1 ZINC000725268363 538100155 /nfs/dbraw/zinc/10/01/55/538100155.db2.gz NTVCSEURPGKHGM-UHFFFAOYSA-N 0 0 247.729 3.441 10 0 BGAERN CCc1ccc2nc(CC3CC3)c(NN)cc2c1 ZINC000725268366 538100012 /nfs/dbraw/zinc/10/00/12/538100012.db2.gz OGENVHWQOSZNMD-UHFFFAOYSA-N 0 0 241.338 3.035 10 0 BGAERN Cc1nc2ccc(C(C)(C)C)cc2cc1NN ZINC000725268376 538100170 /nfs/dbraw/zinc/10/01/70/538100170.db2.gz PAPULOYJLXCDDK-UHFFFAOYSA-N 0 0 229.327 3.126 10 0 BGAERN CC[C@@H](C)c1nc2ccc(OC)cc2cc1NN ZINC000725268430 538100526 /nfs/dbraw/zinc/10/05/26/538100526.db2.gz QPLXTZKPYANMSS-SECBINFHSA-N 0 0 245.326 3.043 10 0 BGAERN CC[C@H](C)c1nc2ccc(OC)cc2cc1NN ZINC000725268431 538100808 /nfs/dbraw/zinc/10/08/08/538100808.db2.gz QPLXTZKPYANMSS-VIFPVBQESA-N 0 0 245.326 3.043 10 0 BGAERN CCc1ccc2nc(C(C)(C)C)c(NN)cc2c1 ZINC000725268462 538100531 /nfs/dbraw/zinc/10/05/31/538100531.db2.gz RLWHAYJFKHQMHU-UHFFFAOYSA-N 0 0 243.354 3.380 10 0 BGAERN CCc1cccc2cc(NN)c(C(F)F)nc21 ZINC000725268484 538100736 /nfs/dbraw/zinc/10/07/36/538100736.db2.gz SEBURJTUFJFBHW-UHFFFAOYSA-N 0 0 237.253 3.020 10 0 BGAERN NNc1cc2cccc(F)c2nc1C1CCCC1 ZINC000725268485 538100507 /nfs/dbraw/zinc/10/05/07/538100507.db2.gz SEUBRWLYBRKHHH-UHFFFAOYSA-N 0 0 245.301 3.317 10 0 BGAERN Cc1ccc2nc(C(C)(C)C)c(NN)cc2c1 ZINC000725268515 538100650 /nfs/dbraw/zinc/10/06/50/538100650.db2.gz 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Cc1ccc(-c2nn(C)cc2C(F)F)cc1F ZINC000725270692 538102844 /nfs/dbraw/zinc/10/28/44/538102844.db2.gz QXNIYHBJUGPBIM-UHFFFAOYSA-N 0 0 240.228 3.472 10 0 BGAERN Cn1cc(C(F)F)c(-c2ccc(F)cc2F)n1 ZINC000725270756 538102744 /nfs/dbraw/zinc/10/27/44/538102744.db2.gz SDYJKHKSYKOHKO-UHFFFAOYSA-N 0 0 244.191 3.303 10 0 BGAERN CCn1cc(C(F)F)c(-c2cccc(N)c2)n1 ZINC000725270778 538102437 /nfs/dbraw/zinc/10/24/37/538102437.db2.gz SQLYTDYVWIDBKE-UHFFFAOYSA-N 0 0 237.253 3.090 10 0 BGAERN Nc1cccc(-c2c(F)cccc2Cl)n1 ZINC000725270876 538103175 /nfs/dbraw/zinc/10/31/75/538103175.db2.gz ULHSBRXGWPWPNH-UHFFFAOYSA-N 0 0 222.650 3.123 10 0 BGAERN Cn1cc(C(F)F)c(-c2ccc(F)c(F)c2)n1 ZINC000725270985 538103030 /nfs/dbraw/zinc/10/30/30/538103030.db2.gz UYQOJMNPPSUXFL-UHFFFAOYSA-N 0 0 244.191 3.303 10 0 BGAERN CCn1cc(C(F)F)c(-c2ccc(N)cc2)n1 ZINC000725271027 538102997 /nfs/dbraw/zinc/10/29/97/538102997.db2.gz VIDGMJAJCMBNMC-UHFFFAOYSA-N 0 0 237.253 3.090 10 0 BGAERN Cc1cc(F)ccc1-c1nn(C)cc1C(F)F ZINC000725271109 538103280 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/nfs/dbraw/zinc/42/71/96/586427196.db2.gz ZQOKVKDSLVIJKJ-UHFFFAOYSA-N 0 0 218.300 3.006 10 0 BGAERN Cc1cc(C[C@H](O)C(C)(F)F)ccc1Cl ZINC000757140654 582520731 /nfs/dbraw/zinc/52/07/31/582520731.db2.gz AGWRSIOUAZSYRC-JTQLQIEISA-N 0 0 234.673 3.207 10 0 BGAERN Cc1cc(C[C@@H](O)C(C)(F)F)ccc1Cl ZINC000757140669 582521106 /nfs/dbraw/zinc/52/11/06/582521106.db2.gz AGWRSIOUAZSYRC-SNVBAGLBSA-N 0 0 234.673 3.207 10 0 BGAERN Cc1cc(C[C@@H](O)C2(C)CC2)ccc1Cl ZINC000757140712 582520682 /nfs/dbraw/zinc/52/06/82/582520682.db2.gz AWPYPGZDTMUYAW-GFCCVEGCSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@H](O)C2(C)CC2)ccc1Cl ZINC000757140730 586427368 /nfs/dbraw/zinc/42/73/68/586427368.db2.gz AWPYPGZDTMUYAW-LBPRGKRZSA-N 0 0 224.731 3.352 10 0 BGAERN CCC[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757140772 582521033 /nfs/dbraw/zinc/52/10/33/582521033.db2.gz BHTAVQKDSABVSV-LLVKDONJSA-N 0 0 212.720 3.352 10 0 BGAERN CCC[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757140785 582521225 /nfs/dbraw/zinc/52/12/25/582521225.db2.gz 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CCC[C@H]([NH3+])c1cc(Cl)c([O-])cc1Cl ZINC000757144260 643315866 /nfs/dbraw/zinc/31/58/66/643315866.db2.gz IFLNMUYXXICHTB-VIFPVBQESA-N 0 0 234.126 3.499 10 0 BGAERN Cc1ccnn1Cc1ccc(Cl)c(C)c1 ZINC000757144367 586428108 /nfs/dbraw/zinc/42/81/08/586428108.db2.gz JORCPUUTRZCTTM-UHFFFAOYSA-N 0 0 220.703 3.202 10 0 BGAERN Cc1cc(C[C@@H](O)C2CCC2)ccc1Cl ZINC000757144386 586428281 /nfs/dbraw/zinc/42/82/81/586428281.db2.gz KBGULKSLSBHZAT-CYBMUJFWSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@H](O)C2CCC2)ccc1Cl ZINC000757144388 586428451 /nfs/dbraw/zinc/42/84/51/586428451.db2.gz KBGULKSLSBHZAT-ZDUSSCGKSA-N 0 0 224.731 3.352 10 0 BGAERN CC(C)(C)C1CCC2(CC1)NCC(F)(F)CO2 ZINC000757145244 582526931 /nfs/dbraw/zinc/52/69/31/582526931.db2.gz ICRFXTZRJUHKSD-UHFFFAOYSA-N 0 0 247.329 3.174 10 0 BGAERN [NH3+][C@H](c1cc(Cl)c([O-])cc1Cl)C1CC1 ZINC000757145365 582527431 /nfs/dbraw/zinc/52/74/31/582527431.db2.gz LURZWAHVBBLZDX-JTQLQIEISA-N 0 0 232.110 3.109 10 0 BGAERN [NH3+][C@@H](c1cc(Cl)c([O-])cc1Cl)C1CC1 ZINC000757145374 582527482 /nfs/dbraw/zinc/52/74/82/582527482.db2.gz LURZWAHVBBLZDX-SNVBAGLBSA-N 0 0 232.110 3.109 10 0 BGAERN CCC[C@@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757145919 582528489 /nfs/dbraw/zinc/52/84/89/582528489.db2.gz QIMFUIZTIBAWJB-SSDOTTSWSA-N 0 0 234.126 3.499 10 0 BGAERN CCC[C@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757145923 582528607 /nfs/dbraw/zinc/52/86/07/582528607.db2.gz QIMFUIZTIBAWJB-ZETCQYMHSA-N 0 0 234.126 3.499 10 0 BGAERN Cc1cc(CS[C@H](C)CO)ccc1Cl ZINC000757146468 582530595 /nfs/dbraw/zinc/53/05/95/582530595.db2.gz RCTDARIRYCUNFN-SECBINFHSA-N 0 0 230.760 3.262 10 0 BGAERN Cc1cc(CS[C@@H](C)CO)ccc1Cl ZINC000757146470 582530193 /nfs/dbraw/zinc/53/01/93/582530193.db2.gz RCTDARIRYCUNFN-VIFPVBQESA-N 0 0 230.760 3.262 10 0 BGAERN Cc1cc(C[C@H](O)CC2CC2)ccc1Cl ZINC000757146991 582530944 /nfs/dbraw/zinc/53/09/44/582530944.db2.gz SACFHECSVBKKGE-GFCCVEGCSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@@H](O)CC2CC2)ccc1Cl ZINC000757146996 582530807 /nfs/dbraw/zinc/53/08/07/582530807.db2.gz SACFHECSVBKKGE-LBPRGKRZSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(CNOCC(C)C)ccc1Cl ZINC000757147339 586429022 /nfs/dbraw/zinc/42/90/22/586429022.db2.gz BGPWVPZJLZYLKM-UHFFFAOYSA-N 0 0 227.735 3.326 10 0 BGAERN CC(C)[C@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757147438 586428748 /nfs/dbraw/zinc/42/87/48/586428748.db2.gz XLKLGVIVHMBCBF-JTQLQIEISA-N 0 0 234.126 3.355 10 0 BGAERN CC(C)[C@@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757147448 586428896 /nfs/dbraw/zinc/42/88/96/586428896.db2.gz XLKLGVIVHMBCBF-SNVBAGLBSA-N 0 0 234.126 3.355 10 0 BGAERN Cc1cc(CC[C@@H](C)CO)ccc1Cl ZINC000757147497 582532211 /nfs/dbraw/zinc/53/22/11/582532211.db2.gz CDOBUQHKEZGSJS-SECBINFHSA-N 0 0 212.720 3.209 10 0 BGAERN Cc1cc(CC[C@H](C)CO)ccc1Cl ZINC000757147499 582532219 /nfs/dbraw/zinc/53/22/19/582532219.db2.gz CDOBUQHKEZGSJS-VIFPVBQESA-N 0 0 212.720 3.209 10 0 BGAERN CC(C)C[C@H]([NH3+])c1cc(Cl)c([O-])cc1F ZINC000757147556 582532316 /nfs/dbraw/zinc/53/23/16/582532316.db2.gz 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3.123 10 0 BGAERN Cc1cc(C[C@H](O)[C@@H]2C[C@H]2C)ccc1Cl ZINC000757149312 586429027 /nfs/dbraw/zinc/42/90/27/586429027.db2.gz ZUZBJCPLMNSPKK-DYLAAIIWSA-N 0 0 224.731 3.208 10 0 BGAERN Cc1cc(C[C@H](O)[C@@H]2C[C@@H]2C)ccc1Cl ZINC000757149319 643335572 /nfs/dbraw/zinc/33/55/72/643335572.db2.gz ZUZBJCPLMNSPKK-KDDOJWQBSA-N 0 0 224.731 3.208 10 0 BGAERN Cc1cc(C[C@H](O)[C@H]2C[C@@H]2C)ccc1Cl ZINC000757149321 643335650 /nfs/dbraw/zinc/33/56/50/643335650.db2.gz ZUZBJCPLMNSPKK-QWRKXWFKSA-N 0 0 224.731 3.208 10 0 BGAERN Cc1cc(C[C@H](O)[C@H]2C[C@H]2C)ccc1Cl ZINC000757149363 643335775 /nfs/dbraw/zinc/33/57/75/643335775.db2.gz ZUZBJCPLMNSPKK-WLTAIBSBSA-N 0 0 224.731 3.208 10 0 BGAERN Cc1cc(CSCCCON)ccc1Cl ZINC000757150007 582533833 /nfs/dbraw/zinc/53/38/33/582533833.db2.gz DREORYPYTYALNB-UHFFFAOYSA-N 0 0 245.775 3.162 10 0 BGAERN Cc1cc(CNn2cccc2)ccc1Cl ZINC000757150035 586429085 /nfs/dbraw/zinc/42/90/85/586429085.db2.gz DSEMRFKNBLKXAP-UHFFFAOYSA-N 0 0 220.703 3.194 10 0 BGAERN Cc1cc(CC[C@@H](O)C2CC2)ccc1Cl ZINC000757150054 582534180 /nfs/dbraw/zinc/53/41/80/582534180.db2.gz DUKPEBPYZCNUFE-CYBMUJFWSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(CC[C@H](O)C2CC2)ccc1Cl ZINC000757150057 582534120 /nfs/dbraw/zinc/53/41/20/582534120.db2.gz DUKPEBPYZCNUFE-ZDUSSCGKSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@@H]2CCC[C@@H]2O)ccc1Cl ZINC000757150396 582534851 /nfs/dbraw/zinc/53/48/51/582534851.db2.gz FKTUCTGRWLNCGR-AAEUAGOBSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@H]2CCC[C@H]2O)ccc1Cl ZINC000757150409 582534971 /nfs/dbraw/zinc/53/49/71/582534971.db2.gz FKTUCTGRWLNCGR-DGCLKSJQSA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@@H]2CCC[C@H]2O)ccc1Cl ZINC000757150416 582534199 /nfs/dbraw/zinc/53/41/99/582534199.db2.gz FKTUCTGRWLNCGR-WCQYABFASA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@H]2CCC[C@@H]2O)ccc1Cl ZINC000757150436 582535136 /nfs/dbraw/zinc/53/51/36/582535136.db2.gz FKTUCTGRWLNCGR-YPMHNXCESA-N 0 0 224.731 3.352 10 0 BGAERN Cc1cc(C[C@H](CO)C(C)C)ccc1Cl ZINC000757151341 582535380 /nfs/dbraw/zinc/53/53/80/582535380.db2.gz GFCNSAHSUZMINS-GFCCVEGCSA-N 0 0 226.747 3.455 10 0 BGAERN Cc1cc(C[C@@H](CO)C(C)C)ccc1Cl ZINC000757151343 582535823 /nfs/dbraw/zinc/53/58/23/582535823.db2.gz GFCNSAHSUZMINS-LBPRGKRZSA-N 0 0 226.747 3.455 10 0 BGAERN Cc1cc(CC2=C[C@H](O)CC2)ccc1Cl ZINC000757151383 582536348 /nfs/dbraw/zinc/53/63/48/582536348.db2.gz GVBXTIKMBMDJHD-GFCCVEGCSA-N 0 0 222.715 3.272 10 0 BGAERN Cc1cc(CC2=C[C@@H](O)CC2)ccc1Cl ZINC000757151387 582535989 /nfs/dbraw/zinc/53/59/89/582535989.db2.gz GVBXTIKMBMDJHD-LBPRGKRZSA-N 0 0 222.715 3.272 10 0 BGAERN Cc1cc(CC(C)(C)CO)ccc1Cl ZINC000757151659 586428994 /nfs/dbraw/zinc/42/89/94/586428994.db2.gz IZYZMEPTQXUBFC-UHFFFAOYSA-N 0 0 212.720 3.209 10 0 BGAERN CC1(C)CC(C)(C)CC2(C1)NCC(F)(F)CO2 ZINC000757151743 643344022 /nfs/dbraw/zinc/34/40/22/643344022.db2.gz RJAHTWGKLPZPLK-UHFFFAOYSA-N 0 0 247.329 3.174 10 0 BGAERN CC[C@H](CO)Cc1ccc(Cl)c(C)c1 ZINC000757152403 582536911 /nfs/dbraw/zinc/53/69/11/582536911.db2.gz LNVDXZRURSKVNY-JTQLQIEISA-N 0 0 212.720 3.209 10 0 BGAERN CC[C@@H](CO)Cc1ccc(Cl)c(C)c1 ZINC000757152404 582536795 /nfs/dbraw/zinc/53/67/95/582536795.db2.gz LNVDXZRURSKVNY-SNVBAGLBSA-N 0 0 212.720 3.209 10 0 BGAERN CC1(C)CC2(C1)N[C@@H](c1ccccc1F)CCO2 ZINC000757153034 582537655 /nfs/dbraw/zinc/53/76/55/582537655.db2.gz VWHKLPBOAKATMJ-CYBMUJFWSA-N 0 0 249.329 3.393 10 0 BGAERN CC1(C)CC2(C1)N[C@H](c1ccccc1F)CCO2 ZINC000757153038 582537108 /nfs/dbraw/zinc/53/71/08/582537108.db2.gz VWHKLPBOAKATMJ-ZDUSSCGKSA-N 0 0 249.329 3.393 10 0 BGAERN Cc1cc(C[C@H](CO)C2CC2)ccc1Cl ZINC000757153354 582537693 /nfs/dbraw/zinc/53/76/93/582537693.db2.gz OPAXAPPCZOJBHZ-GFCCVEGCSA-N 0 0 224.731 3.209 10 0 BGAERN Cc1cc(C[C@@H](CO)C2CC2)ccc1Cl ZINC000757153357 582537607 /nfs/dbraw/zinc/53/76/07/582537607.db2.gz OPAXAPPCZOJBHZ-LBPRGKRZSA-N 0 0 224.731 3.209 10 0 BGAERN Cc1cc(CCC[C@H](C)O)ccc1Cl ZINC000757153653 582538363 /nfs/dbraw/zinc/53/83/63/582538363.db2.gz PJCKVXIAWUZRPX-JTQLQIEISA-N 0 0 212.720 3.352 10 0 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CCC[C@H](C)c1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757566058 586305631 /nfs/dbraw/zinc/30/56/31/586305631.db2.gz KGRCOAOIMJTPFT-VIFPVBQESA-N 0 0 244.342 3.436 10 0 BGAERN CN1C(=O)CNc2ccc(C3=CCCCC3)cc21 ZINC000757566113 586306502 /nfs/dbraw/zinc/30/65/02/586306502.db2.gz KMFWIKMOXSZCII-UHFFFAOYSA-N 0 0 242.322 3.032 10 0 BGAERN Cc1nn(C)c2sc(-c3ccc(C=O)o3)cc12 ZINC000757566271 586461599 /nfs/dbraw/zinc/46/15/99/586461599.db2.gz INKXMIKNNMNAIH-UHFFFAOYSA-N 0 0 246.291 3.016 10 0 BGAERN O=Cc1ccc(-c2cccc(F)c2C=O)s1 ZINC000757566545 586461841 /nfs/dbraw/zinc/46/18/41/586461841.db2.gz GAJTVYWBKVGXRH-UHFFFAOYSA-N 0 0 234.251 3.179 10 0 BGAERN Cc1ccc2n[nH]cc2c1-c1cccc(C=O)c1 ZINC000757566657 586461472 /nfs/dbraw/zinc/46/14/72/586461472.db2.gz KSXRBMKFRXDKOO-UHFFFAOYSA-N 0 0 236.274 3.351 10 0 BGAERN Cc1cc2c[nH]nc2cc1-c1ccccc1C=O ZINC000757566721 586461544 /nfs/dbraw/zinc/46/15/44/586461544.db2.gz LKDWVDJNWYFSIU-UHFFFAOYSA-N 0 0 236.274 3.351 10 0 BGAERN Cc1ccc2n[nH]cc2c1-c1csc(C=O)c1 ZINC000757566733 586461782 /nfs/dbraw/zinc/46/17/82/586461782.db2.gz LXXOXNVOMONXMU-UHFFFAOYSA-N 0 0 242.303 3.412 10 0 BGAERN Cc1cc2c[nH]nc2cc1-c1csc(C=O)c1 ZINC000757566746 586461839 /nfs/dbraw/zinc/46/18/39/586461839.db2.gz MRXSGVYTBPXYAI-UHFFFAOYSA-N 0 0 242.303 3.412 10 0 BGAERN Cc1ccc2n[nH]cc2c1-c1ccc(C=O)cc1 ZINC000757566754 586461808 /nfs/dbraw/zinc/46/18/08/586461808.db2.gz NBTHPCSJNGWZTA-UHFFFAOYSA-N 0 0 236.274 3.351 10 0 BGAERN CCOc1cccc(-c2ccc(C=O)o2)c1F ZINC000757566760 586306264 /nfs/dbraw/zinc/30/62/64/586306264.db2.gz NJPDPUYMKJSQRH-UHFFFAOYSA-N 0 0 234.226 3.297 10 0 BGAERN Cc1ccc(-c2cccc(F)c2C=O)cc1N ZINC000757566952 586306103 /nfs/dbraw/zinc/30/61/03/586306103.db2.gz HKUPAVPVVWRPIB-UHFFFAOYSA-N 0 0 229.254 3.196 10 0 BGAERN Nc1ncc(C2=CCCCC2)cc1Cl ZINC000757567250 586309588 /nfs/dbraw/zinc/30/95/88/586309588.db2.gz NRLSEOBLNXPKEF-UHFFFAOYSA-N 0 0 208.692 3.275 10 0 BGAERN CCOc1cc(F)ccc1-c1ccc(C=O)cn1 ZINC000757567401 586461673 /nfs/dbraw/zinc/46/16/73/586461673.db2.gz 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586462196 /nfs/dbraw/zinc/46/21/96/586462196.db2.gz ZKUNJUPERHQUSY-UHFFFAOYSA-N 0 0 242.303 3.412 10 0 BGAERN Cc1cc2c[nH]nc2cc1-c1cccc(N)c1 ZINC000757568061 586335763 /nfs/dbraw/zinc/33/57/63/586335763.db2.gz ZWOICGPDLQYSQX-UHFFFAOYSA-N 0 0 223.279 3.121 10 0 BGAERN O=Cc1ccc(-c2cccc3cc[nH]c32)o1 ZINC000757568194 586462098 /nfs/dbraw/zinc/46/20/98/586462098.db2.gz LGSHQAGLZKEZQS-UHFFFAOYSA-N 0 0 211.220 3.240 10 0 BGAERN O=Cc1ccc(-c2cccc(F)c2C=O)cc1 ZINC000757568914 586462125 /nfs/dbraw/zinc/46/21/25/586462125.db2.gz QMLNVEWOVDOOEG-UHFFFAOYSA-N 0 0 228.222 3.118 10 0 BGAERN O=Cc1ccc(-c2cccc3cc[nH]c32)nc1 ZINC000757569497 586365022 /nfs/dbraw/zinc/36/50/22/586365022.db2.gz UAZISMNETNBDPY-UHFFFAOYSA-N 0 0 222.247 3.042 10 0 BGAERN COc1ccc(-c2csc(C=O)c2)cc1F ZINC000757569508 586364935 /nfs/dbraw/zinc/36/49/35/586364935.db2.gz UCJLTNVLDDKSGD-UHFFFAOYSA-N 0 0 236.267 3.375 10 0 BGAERN CCC[C@@H](C)c1nc2[nH]ccc2c(NCC)n1 ZINC000757569563 586366301 /nfs/dbraw/zinc/36/63/01/586366301.db2.gz 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CC(C)CCc1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757570756 586462467 /nfs/dbraw/zinc/46/24/67/586462467.db2.gz YOBZZMKPZYLDEN-UHFFFAOYSA-N 0 0 244.342 3.121 10 0 BGAERN CC[C@@H](C)c1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757570889 586462350 /nfs/dbraw/zinc/46/23/50/586462350.db2.gz ZOEXCOBRGKUMIZ-MRVPVSSYSA-N 0 0 230.315 3.046 10 0 BGAERN CC[C@H](C)c1nc2[nH]ccc2c(NC2CC2)n1 ZINC000757570890 586462334 /nfs/dbraw/zinc/46/23/34/586462334.db2.gz ZOEXCOBRGKUMIZ-QMMMGPOBSA-N 0 0 230.315 3.046 10 0 BGAERN CC(C)CCc1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757570942 586462488 /nfs/dbraw/zinc/46/24/88/586462488.db2.gz ZWLUGSSAXHOHEE-UHFFFAOYSA-N 0 0 246.358 3.367 10 0 BGAERN CC(C)N1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757571514 586462702 /nfs/dbraw/zinc/46/27/02/586462702.db2.gz LHEFJIPUKFRETK-UHFFFAOYSA-N 0 0 247.313 3.136 10 0 BGAERN Nc1cc(Cl)c(C2=CCOCC2)c(Cl)c1 ZINC000757571793 586462431 /nfs/dbraw/zinc/46/24/31/586462431.db2.gz MUEBODNCRLDMFY-UHFFFAOYSA-N 0 0 244.121 3.379 10 0 BGAERN COc1ccc(C2=CCOCC2)c2occc21 ZINC000757571916 644850785 /nfs/dbraw/zinc/85/07/85/644850785.db2.gz NJJANABFAFOGGN-UHFFFAOYSA-N 0 0 230.263 3.245 10 0 BGAERN CCCN1CCC=C(c2cccc(F)c2C=O)C1 ZINC000757572310 586463098 /nfs/dbraw/zinc/46/30/98/586463098.db2.gz QMJBZWXCJCYLBY-UHFFFAOYSA-N 0 0 247.313 3.137 10 0 BGAERN CC[C@@H]1CCN1Cc1ccc(C)nc1Cl ZINC000839027555 585023748 /nfs/dbraw/zinc/02/37/48/585023748.db2.gz JLAQOPTWKRMKRC-LLVKDONJSA-N 0 0 224.735 3.028 10 0 BGAERN Fc1ccc(-c2ccc(F)cc2F)nc1 ZINC000885764927 592099618 /nfs/dbraw/zinc/09/96/18/592099618.db2.gz RKUQBAQVAGDVEX-UHFFFAOYSA-N 0 0 209.170 3.166 10 0 BGAERN FC(F)(F)c1cc(Br)co1 ZINC000950757247 641958333 /nfs/dbraw/zinc/95/83/33/641958333.db2.gz LECHDGCZVYAQSL-UHFFFAOYSA-N 0 0 214.968 3.061 10 0 BGAERN Nc1cccc(C(F)(F)CC(F)(F)F)c1 ZINC000950757278 712726393 /nfs/dbraw/zinc/72/63/93/712726393.db2.gz OKTIZCNMEASPDJ-UHFFFAOYSA-N 0 0 225.160 3.313 10 0 BGAERN